LJM
概要
| 表記: | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide |
| 組成式: | C13 H13 F N2 O S |
| 電荷: | 0 |
| 化学式量: | 264.319 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 | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 5-ethyl-~{N}-[(4-fluorophenyl)methyl]-1,3-thiazole-2-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 | n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | RQZLQKRNRVOGMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(nc1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CCc1sc(nc1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cnc(s1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cnc(s1)C(=O)NCc2ccc(cc2)F |
