5ZU
Summary
| Name: | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid |
| Formula: | C9 H8 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 240.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | KALMSBPPQREWFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(Cc2sccc2)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc(Cc2sccc2)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)Cc2c(nc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)Cc2c(nc(s2)N)C(=O)O |
