WF4
Summary
| Name: | 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
| Formula: | C12 H8 F3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 287.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c2ccc(c1nc(c(s1)C(=O)O)C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | DRFFZMPSUPHSJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O |
