1-((2-(4-chlorobenzyl)-4-methylthiazol-5-yl)methyleneamino)-2-isopropylisothiourea | 1453840-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-((2-(4-chlorobenzyl)-4-methylthiazol-5-yl)methyleneamino)-2-isopropylisothiourea
• CAS: 1453840-33-9
• 化学式: C₁₆H₁₉ClN₄S₂
• 分子量: 366.939
• InChiKey: QBQUSDHBWHXCMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  63.63
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-(4-chlorobenzyl)-4-methylthiazole-5-carbaldehyde 以 甲醇 、 丙酮 为溶剂， 反应 2.0h， 生成 1-((2-(4-chlorobenzyl)-4-methylthiazol-5-yl)methyleneamino)-2-isopropylisothiourea
  参考文献：
  名称：

  Synthesis and Antimicrobial Activities of Novel Series of 1-((4-Methyl-2-Substituted Thiazol-5-yl)Methyleneam INO)-2-Substituted Isothiourea Derivatives

  摘要：

  A novel series of 1-((4-methyl-2-substituted thiazol-5-yl)methyleneamino)-2-substituted isothiourea derivatives was synthesized by alkylation of (Z/E)-1-((4-methyl-2-substituted thiazol-5-yl)methylene)thiosemicarbazide with alkylhalide in acetone. All the newly synthesized compounds were characterized by spectral (IR, H-1 NMR, C-13 NMR, and mass spectrometry) methods. The newly synthesized compounds were screened for in vitro antimicrobial activity. Most of the compounds show moderate to excellent antimicrobial activity.

  DOI：

  10.1080/10426507.2012.745542