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 |