5TZ
Summary
| Name: | 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid |
| Formula: | C9 H7 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 221.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14) |
| InChIKey | InChI | 1.03 | FAOZNCYQMCTIBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1scc(n1)c2cc(ccn2)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1scc(n1)c2cc(ccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cnc(cc1C(=O)O)c2csc(n2)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cnc(cc1C(=O)O)c2csc(n2)N |
