WHV
概要
| 表記: | (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine |
| 組成式: | C8 H14 N2 S |
| 電荷: | 0 |
| 化学式量: | 170.275 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-(2,4-dimethyl-1,3-thiazol-5-yl)-~{N}-methyl-ethanamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(C)c(C(NC)C)sc1C |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | YVLIGMQLZXNHQN-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C)c1sc(C)nc1C |
| SMILES | CACTVS | 3.385 | CN[CH](C)c1sc(C)nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)[C@@H](C)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)C(C)NC |
