IQX
概要
| 表記: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide |
| 別名: | N-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide |
| 組成式: | C16 H16 F N5 O3 S3 |
| 電荷: | 0 |
| 化学式量: | 441.523 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-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide |
| OpenEye OEToolkits | 1.7.0 | N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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=S(=O)(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cnc3F |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O)c3sc(C)nc3C)c2 |
| SMILES | CACTVS | 3.370 | CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O)c3sc(C)nc3C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23) |
| InChIKey | InChI | 1.03 | IGQXOMRFMBZFBD-UHFFFAOYSA-N |
