5A5
Summary
| Name: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| Formula: | C14 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 276.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18) |
| InChIKey | InChI | 1.06 | XQXGOTVAWGPLTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
