2HV
Summary
| Name: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide |
| Formula: | C17 H20 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 344.431 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc3nc(C(=O)Nc2ccccc2N1CCCCC1)cs3)C |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22) |
| InChIKey | InChI | 1.03 | XPDNPGNUQDMFOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1scc(n1)C(=O)Nc2ccccc2N3CCCCC3 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1scc(n1)C(=O)Nc2ccccc2N3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3 |
