A1CW2
Summary
| Name: | (3R)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine |
| Formula: | C10 H15 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 230.757 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-5-[[(3~{R})-3-methylpiperidin-1-yl]methyl]-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ncc(CN2CC(C)CCC2)s1 |
| InChI | InChI | 1.06 | InChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)7-9-5-12-10(11)14-9/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | XWHGDDRUUWBESD-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCN(C1)Cc2sc(Cl)nc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN(C1)Cc2sc(Cl)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CCCN(C1)Cc2cnc(s2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCCN(C1)Cc2cnc(s2)Cl |
