D8V
Summary
| Name: | 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol |
| Formula: | C13 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 265.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol |
| OpenEye OEToolkits | 2.0.6 | 4-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N(C)CC#C)c2nc(C1(CCNCC1)O)cs2 |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3OS/c1-3-8-16(2)9-12-15-11(10-18-12)13(17)4-6-14-7-5-13/h1,10,14,17H,4-9H2,2H3 |
| InChIKey | InChI | 1.03 | NZKQXJFLCYAWDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC#C)Cc1scc(n1)C2(O)CCNCC2 |
| SMILES | CACTVS | 3.385 | CN(CC#C)Cc1scc(n1)C2(O)CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O |
