A1AKL
Summary
| Name: | N-{5-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide |
| Formula: | C11 H17 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 239.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1ncc(CN2CCCCC2)s1 |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3OS/c1-9(15)13-11-12-7-10(16-11)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15) |
| InChIKey | InChI | 1.06 | WQUWVCYQJKWKDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(CN2CCCCC2)cn1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(CN2CCCCC2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ncc(s1)CN2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ncc(s1)CN2CCCCC2 |
