5ZX
Summary
| Name: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid |
| Formula: | C12 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 248.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16) |
| InChIKey | InChI | 1.06 | JARXXMAFINZHLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(CCc2ccccc2)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc(CCc2ccccc2)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O |
