TID
Summary
| Name: | 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid |
| Formula: | C9 H7 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 221.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid |
| OpenEye OEToolkits | 1.7.2 | 4-(5-azanyl-1,3,4-thiadiazol-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccc(c1nnc(s1)N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc(nn1)c2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.370 | Nc1sc(nn1)c2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2nnc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2nnc(s2)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14) |
| InChIKey | InChI | 1.03 | LQHNMNCRCCSJQW-UHFFFAOYSA-N |
