YO6
Summary
| Name: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid |
| Formula: | C11 H9 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 252.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1csc(Nc2ccc(F)cc2)n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.06 | DKMOQDZYPOFTDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1csc(Nc2ccc(F)cc2)n1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1csc(Nc2ccc(F)cc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc(cs2)CC(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc(cs2)CC(=O)O)F |
