RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136663 | |
|---|---|---|
| RefMet name | 5-(2-Hydroxyethyl)-4-methylthiazole | |
| Systematic name | 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 143.040485 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C6H9NOS | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 45833 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 | |
| InChIKey | BKAWJIRCKVUVED-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | Cc1c(CCO)scn1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Azoles | |
| Sub Class | Thiazoles | |
| Distribution of 5-(2-Hydroxyethyl)-4-methylthiazole in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting 5-(2-Hydroxyethyl)-4-methylthiazole | |
| External Links | ||
| Pubchem CID | 1136 | |
| ChEBI ID | 17957 | |
| KEGG ID | C04294 | |
| HMDB ID | HMDB0032985 | |
| Chemspider ID | 1104 | |
| MetaCyc ID | THZ | |
| EPA CompTox | DTXCID1024382 | |
| Spectral data for 5-(2-Hydroxyethyl)-4-methylthiazole standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
