| Record Information |
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| Version | 5.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2012-09-11 22:25:09 UTC |
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| Update Date | 2023-02-21 17:25:42 UTC |
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| HMDB ID | HMDB0037178 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5-Methoxy-2-methylthiazole |
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| Description | 5-Methoxy-2-methylthiazole belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. 2,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2 and 5 only. 5-Methoxy-2-methylthiazole is a cabbage, green, and sulfurous tasting compound. Based on a literature review very few articles have been published on 5-Methoxy-2-methylthiazole. |
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| Structure | InChI=1S/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3 |
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| Synonyms | | Value | Source |
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| 2-Methyl-5-methoxythiazole | HMDB | | 5-Methoxy-2-methyl-thiazole | HMDB | | 5-Methoxy-2-methylthiazole, 9ci | HMDB | | FEMA 3192 | HMDB |
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| Chemical Formula | C5H7NOS |
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| Average Molecular Weight | 129.18 |
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| Monoisotopic Molecular Weight | 129.024834541 |
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| IUPAC Name | 5-methoxy-2-methyl-1,3-thiazole |
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| Traditional Name | thiazole, 5-methoxy-2-methyl- |
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| CAS Registry Number | 38205-64-0 |
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| SMILES | COC1=CN=C(C)S1 |
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| InChI Identifier | InChI=1S/C5H7NOS/c1-4-6-3-5(7-2)8-4/h3H,1-2H3 |
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| InChI Key | KNHWRHAKUZHDQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. 2,5-Disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2 and 5 only. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azoles |
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| Sub Class | Thiazoles |
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| Direct Parent | 2,5-disubstituted thiazoles |
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| Alternative Parents | |
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| Substituents | - Alkyl aryl ether
- 2,5-disubstituted 1,3-thiazole
- Heteroaromatic compound
- Azacycle
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Physiological effect | |
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| Disposition | |
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| Process | Not Available |
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| Role | |
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| Physical Properties |
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| State | Not Available |
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| Experimental Molecular Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Experimental Chromatographic Properties | Not Available |
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| Predicted Molecular Properties | |
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| Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS Spectra| Spectrum Type | Description | Splash Key | Deposition Date | Source | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-2-methylthiazole GC-MS (Non-derivatized) - 70eV, Positive | splash10-01t9-9700000000-06595ede787f049a69e3 | 2017-09-01 | Wishart Lab | View Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-2-methylthiazole GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxy-2-methylthiazole GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS Spectra| Spectrum Type | Description | Splash Key | Deposition Date | Source | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 10V, Positive-QTOF | splash10-001i-0900000000-7a6bf751068f126c710a | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 20V, Positive-QTOF | splash10-001i-0900000000-2e1500c92f6ca5ec350d | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 40V, Positive-QTOF | splash10-0zmi-9200000000-8aa581bb0c848096d236 | 2016-08-03 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 10V, Negative-QTOF | splash10-004i-2900000000-3a884f16e9596a504bea | 2016-08-04 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 20V, Negative-QTOF | splash10-0fba-9400000000-470d7d5201face47c2d2 | 2016-08-04 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 40V, Negative-QTOF | splash10-0a4i-9000000000-9605986ccac14ba5af99 | 2016-08-04 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 10V, Positive-QTOF | splash10-001i-0900000000-03c5da075eb64de4927a | 2021-09-22 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 20V, Positive-QTOF | splash10-001i-5900000000-741a3e3035fdf9f8d06f | 2021-09-22 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 40V, Positive-QTOF | splash10-0a4i-9000000000-4f2dcc1b3cde537d46ea | 2021-09-22 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 10V, Negative-QTOF | splash10-004i-0900000000-032171d9252ea8f1cdb6 | 2021-09-22 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 20V, Negative-QTOF | splash10-004l-9400000000-7dbfb2ebc8f4ddc17837 | 2021-09-22 | Wishart Lab | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxy-2-methylthiazole 40V, Negative-QTOF | splash10-0006-9000000000-b50aec71fabd8775e234 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR Spectra| Spectrum Type | Description | Deposition Date | Source | View |
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| Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
IR Spectra| Spectrum Type | Description | Deposition Date | Source | View |
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| Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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