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Showing metabocard for 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole (HMDB0037176)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:25:02 UTC
Update Date2022-03-07 02:55:13 UTC
HMDB IDHMDB0037176
Secondary Accession Numbers
  • HMDB37176
Metabolite Identification
Common Name2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
Description2-Ethyl-2,5-dihydro-4,5-dimethylthiazole belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms. 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole is a chocolate, coffee, and meat tasting compound. Based on a literature review very few articles have been published on 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole.
Structure
Data?1563862988
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)


  Mrv0541 05061309372D          

  9  9  0  0  0  0            999 V2000
   -1.1501   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
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3D MOL for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

HMDB0037176
     RDKit          3D
2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.9700   -0.2987    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114    0.4053    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317    1.2945    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    0.5361   -0.9504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846   -0.0366   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.8621   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.1004    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084    0.1582    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    1.6521    1.1300 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498    0.4169   -0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6780   -0.7525    0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302   -1.1200   -0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    0.9594    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452   -0.3771    1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969    2.2178   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095   -1.3379   -2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687   -0.2289   -2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237   -1.6706   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.7016    1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0563    1.0812    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -0.6872    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352    0.0386   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END
Download

3D SDF for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)


  Mrv0541 05061309372D          

  9  9  0  0  0  0            999 V2000
   -1.1501   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037176

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1SC(C)C(C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3

> <INCHI_KEY>
CSACPVARWHDAET-UHFFFAOYSA-N

> <FORMULA>
C7H13NS

> <MOLECULAR_WEIGHT>
143.25

> <EXACT_MASS>
143.076870111

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
16.650095869424028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

> <ALOGPS_LOGP>
2.83

> <JCHEM_LOGP>
1.9418994156666671

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.235008777636064

> <JCHEM_POLAR_SURFACE_AREA>
12.36

> <JCHEM_REFRACTIVITY>
42.5153

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

HMDB0037176
     RDKit          3D
2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.9700   -0.2987    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114    0.4053    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317    1.2945    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    0.5361   -0.9504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846   -0.0366   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.8621   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.1004    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084    0.1582    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    1.6521    1.1300 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498    0.4169   -0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6780   -0.7525    0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302   -1.1200   -0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    0.9594    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452   -0.3771    1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969    2.2178   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095   -1.3379   -2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687   -0.2289   -2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237   -1.6706   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.7016    1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0563    1.0812    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -0.6872    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352    0.0386   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END
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PDB for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.147  -1.375   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.770   1.651   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       1.830  -0.290   0.000  0.00  0.00           N+0
HETATM    9  S   UNK     0      -0.186   1.175   0.000  0.00  0.00           S+0
CONECT    1    4                                                            
CONECT    2    5                                                            
CONECT    3    6                                                            
CONECT    4    1    7                                                       
CONECT    5    2    6    8                                                  
CONECT    6    3    5    9                                                  
CONECT    7    4    8    9                                                  
CONECT    8    5    7                                                       
CONECT    9    6    7                                                       
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

COMPND    HMDB0037176
HETATM    1  C1  UNL     1      -2.970  -0.299   0.069  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.911   0.405   0.865  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.032   1.295   0.028  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.381   0.536  -0.950  1.00  0.00           N  
HETATM    5  C4  UNL     1       0.685  -0.037  -0.707  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.373  -0.862  -1.812  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.231   0.100   0.661  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.708   0.158   0.733  1.00  0.00           C  
HETATM    9  S1  UNL     1       0.418   1.652   1.130  1.00  0.00           S  
HETATM   10  H1  UNL     1      -3.550   0.417  -0.538  1.00  0.00           H  
HETATM   11  H2  UNL     1      -3.678  -0.753   0.790  1.00  0.00           H  
HETATM   12  H3  UNL     1      -2.530  -1.120  -0.512  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.338   0.959   1.714  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.245  -0.377   1.300  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.497   2.218  -0.300  1.00  0.00           H  
HETATM   16  H7  UNL     1       0.610  -1.338  -2.460  1.00  0.00           H  
HETATM   17  H8  UNL     1       2.069  -0.229  -2.374  1.00  0.00           H  
HETATM   18  H9  UNL     1       1.924  -1.671  -1.321  1.00  0.00           H  
HETATM   19  H10 UNL     1       0.770  -0.702   1.272  1.00  0.00           H  
HETATM   20  H11 UNL     1       3.056   1.081   1.240  1.00  0.00           H  
HETATM   21  H12 UNL     1       3.054  -0.687   1.390  1.00  0.00           H  
HETATM   22  H13 UNL     1       3.235   0.039  -0.216  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4    9   15
CONECT    4    5    5
CONECT    5    6    7
CONECT    6   16   17   18
CONECT    7    8    9   19
CONECT    8   20   21   22
END
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SMILES for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

CCC1SC(C)C(C)=N1
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INCHI for HMDB0037176 (2-Ethyl-2,5-dihydro-4,5-dimethylthiazole)

InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,5-dihydro-4,5-Dimethyl-2-ethyl-thiazoleHMDB
2-Ethyl-2,5-dihydro-4,5-dimethyl-thiazoleHMDB
2-Ethyl-4,5-dimethyl thiazolineHMDB
2-Ethyl-4,5-dimethyl-3-thiazolineHMDB
4,5-Dimethyl-2-ethyl-3-thiazolineHMDB
FEMA 3620HMDB
Chemical FormulaC7H13NS
Average Molecular Weight143.25
Monoisotopic Molecular Weight143.076870111
IUPAC Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
Traditional Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
CAS Registry Number76788-46-0
SMILES
CCC1SC(C)C(C)=N1
InChI Identifier
InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
InChI KeyCSACPVARWHDAET-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzolines
Sub ClassThiazolines
Direct ParentThiazolines
Alternative Parents
Substituents
  • Meta-thiazoline
  • Ketimine
  • Azacycle
  • Dialkylthioether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Thioether
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Imine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.92 g/LALOGPS
logP2.83ALOGPS
logP1.94ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)5.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.36 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity42.52 m³·mol⁻¹ChemAxon
Polarizability16.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+130.88631661259
DarkChem[M-H]-127.60431661259
DeepCCS[M+H]+132.67330932474
DeepCCS[M-H]-129.38230932474
DeepCCS[M-2H]-166.43730932474
DeepCCS[M+Na]+141.47530932474
AllCCS[M+H]+129.932859911
AllCCS[M+H-H2O]+125.532859911
AllCCS[M+NH4]+133.932859911
AllCCS[M+Na]+135.132859911
AllCCS[M-H]-134.532859911
AllCCS[M+Na-2H]-136.932859911
AllCCS[M+HCOO]-139.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Ethyl-2,5-dihydro-4,5-dimethylthiazoleCCC1SC(C)C(C)=N11474.9Standard polar33892256
2-Ethyl-2,5-dihydro-4,5-dimethylthiazoleCCC1SC(C)C(C)=N11034.5Standard non polar33892256
2-Ethyl-2,5-dihydro-4,5-dimethylthiazoleCCC1SC(C)C(C)=N11097.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole GC-MS (Non-derivatized) - 70eV, Positivesplash10-06vi-9300000000-4e3c9044eb1f067714ad2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 10V, Positive-QTOFsplash10-0006-1900000000-23430be94c5f3ac1c66c2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 20V, Positive-QTOFsplash10-0006-3900000000-23895cd5912b8ae2b8cf2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 40V, Positive-QTOFsplash10-0kbf-9000000000-7ec84d4a1376c4801af52016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 10V, Negative-QTOFsplash10-0016-8900000000-baafed9028f577bcf06e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 20V, Negative-QTOFsplash10-000x-9500000000-7fa2403998511ee4f2de2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 40V, Negative-QTOFsplash10-0089-9000000000-863e3c336277cf999b612016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 10V, Negative-QTOFsplash10-0006-4900000000-d1d9813b60db9f6466612021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 20V, Negative-QTOFsplash10-00di-9100000000-2178f540a47f594164122021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 40V, Negative-QTOFsplash10-0006-8900000000-ee73000d25bbc60ab5762021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 10V, Positive-QTOFsplash10-0006-0900000000-0e5bfc080e096b750c972021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 20V, Positive-QTOFsplash10-0f6x-4900000000-ec81c597887c374b364a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 40V, Positive-QTOFsplash10-0006-9100000000-bdb66fe54ade4d0817702021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016172
KNApSAcK IDNot Available
Chemspider ID4515096
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5362584
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .