A1MC7
Summary
| Name: | (3~{S})-1-(2-pyridin-2-ylethyl)-~{N}-(1,3-thiazol-2-yl)piperidine-3-carboxamide |
| Formula: | C16 H20 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 316.421 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1-(2-pyridin-2-ylethyl)-~{N}-(1,3-thiazol-2-yl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N4OS/c21-15(19-16-18-8-11-22-16)13-4-3-9-20(12-13)10-6-14-5-1-2-7-17-14/h1-2,5,7-8,11,13H,3-4,6,9-10,12H2,(H,18,19,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | XGROXEFZQOXRDK-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)[C@H]2CCCN(CCc3ccccn3)C2 |
| SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)[CH]2CCCN(CCc3ccccn3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCN2CCC[C@@H](C2)C(=O)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCN2CCCC(C2)C(=O)Nc3nccs3 |
