A1A4B
Summary
| Name: | [(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{S})-2-methylpiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N1CCCCC1C)c1scnc1C |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-9(2)12-7-15-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | YWRNHBFWWBSTNH-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCCN1C(=O)c2scnc2C |
| SMILES | CACTVS | 3.385 | C[CH]1CCCCN1C(=O)c2scnc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(scn1)C(=O)N2CCCC[C@@H]2C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(scn1)C(=O)N2CCCCC2C |
