0K7
Summary
| Name: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
| Synonyms: | MO07123 |
| Formula: | C11 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 219.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1nc(sc1)c2ccc(cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | MTVWIZYQYPRZGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)c2scc(n2)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)c2scc(n2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2nc(cs2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)c2nc(cs2)C(=O)O |
