7NW
Summary
| Name: | 2-methyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C5 H5 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 143.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | ZHDRDZMTEOIWSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1scc(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)C(=O)O |
