8CZ
概要
| 表記: | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide |
| 組成式: | C11 H16 N2 O S |
| 電荷: | 0 |
| 化学式量: | 224.323 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 | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1-cyclopropylethyl]-~{N},4-dimethyl-1,3-thiazole-5-carboxamide |
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 | O=C(N(C)C(C)C1CC1)c1scnc1C |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2OS/c1-7-10(15-6-12-7)11(14)13(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | BVKVTOXEFCBBBM-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C1CC1)N(C)C(=O)c2scnc2C |
| SMILES | CACTVS | 3.385 | C[CH](C1CC1)N(C)C(=O)c2scnc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)N(C)C(C)C2CC2 |
