(5Z)-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-2-(4-phenylthiazol-2-ylimino)thiazolidin-4-one | 1401514-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5Z)-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-2-(4-phenylthiazol-2-ylimino)thiazolidin-4-one
• CAS: 1401514-06-4
• 化学式: C₁₇H₁₂N₆O₃S₂
• 分子量: 412.453
• InChiKey: SVEFRXPFNIXFDE-GHXNOFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  115.31
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-氯-N-(4-苯基-噻唑-2-基)-乙酰胺 在 sodium acetate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.25h， 生成 (5Z)-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-2-(4-phenylthiazol-2-ylimino)thiazolidin-4-one
  参考文献：
  名称：

  5-Nitro-heteroarylidene analogs of 2-thiazolylimino-4-thiazolidinones as a novel series of antibacterial agents

  摘要：

  In the pursuit of novel antibacterial agents with the 2-thiazolylimino-4-thiazolidinone as a core structure, a series of 5-nitro-heteroarylidene and 5-(2-oxoindolin-3-ylidene) analogs of 2-thiazolylimino-5-arylidene-4-thiazolidinone were synthesized and their antibacterial activities were evaluated against some strains of Gram-positive and Gram-negative bacteria, as well as Helicobacter pylori strains. Biological data indicated that 5-nitrofuran analog 5a and 5-nitroimidazole analog 7a containing no substitutions on the thiazole ring were the most potent compounds.

  DOI：

  10.1007/s00044-012-0224-6