A1BZQ
Summary
| Name: | N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide |
| Formula: | C11 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 226.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1~{S})-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(C)sc1C(C)NC(=O)C(C)C |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2OS/c1-6(2)11(14)13-8(4)10-7(3)12-9(5)15-10/h6,8H,1-5H3,(H,13,14) |
| InChIKey | InChI | 1.06 | ZECWVBZTKUPZEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N[C@@H](C)c1sc(C)nc1C |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)N[CH](C)c1sc(C)nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(sc(n1)C)[C@H](C)NC(=O)C(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(sc(n1)C)C(C)NC(=O)C(C)C |
