WMS
概要
| 表記: | 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine |
| 組成式: | C10 H10 F N3 S |
| 電荷: | 0 |
| 化学式量: | 223.27 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-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-~{N}-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine |
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 | Cc1ncc(s1)CNc2cc(cnc2)F |
| InChI | InChI | 1.03 | InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3 |
| InChIKey | InChI | 1.03 | SSOIKBIBPGCZFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2cncc(F)c2)cn1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2cncc(F)c2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ncc(s1)CNc2cc(cnc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ncc(s1)CNc2cc(cnc2)F |
