T7L
Summary
| Name: | 2-phenyl-1,3-thiazole-5-carboxylic acid |
| Formula: | C10 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 205.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-phenyl-1,3-thiazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-phenyl-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cnc(s1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.06 | LCALUFNLWHYTKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc(nc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc(nc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ncc(s2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ncc(s2)C(=O)O |
