O2M
概要
| 表記: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide |
| 組成式: | C9 H10 N4 O S |
| 電荷: | 0 |
| 化学式量: | 222.267 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-methyl-1,3-thiazol-2-yl)methyl]-1~{H}-pyrazole-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 | N(Cc1nc(C)cs1)C(=O)c2nncc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13) |
| InChIKey | InChI | 1.03 | URRZFISTFWQMHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(CNC(=O)c2[nH]ncc2)n1 |
| SMILES | CACTVS | 3.385 | Cc1csc(CNC(=O)c2[nH]ncc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1csc(n1)CNC(=O)c2ccn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1csc(n1)CNC(=O)c2ccn[nH]2 |
