K5U
Summary
| Name: | 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide |
| Formula: | C16 H13 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 344.819 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClN4OS/c17-12-6-1-2-7-13(12)20-16-21-14(10-23-16)15(22)19-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H,19,22)(H,20,21) |
| InChIKey | InChI | 1.06 | VDDLYKLMQUPGRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Nc2nc(cs2)C(=O)NCc3ccccn3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Nc2nc(cs2)C(=O)NCc3ccccn3)Cl |
