2-Amino-4-(2-methylpropoxy)-1,3-thiazole-5-carbonitrile | 666257-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Amino-4-(2-methylpropoxy)-1,3-thiazole-5-carbonitrile
• CAS: 666257-92-7
• 化学式: C₈H₁₁N₃OS
• 分子量: 197.261
• InChiKey: XBYHRCMOHXVYTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-二氯苯异氰酸酯 、 2-Amino-4-(2-methylpropoxy)-1,3-thiazole-5-carbonitrile 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[5-Cyano-4-(2-methylpropoxy)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)urea
  参考文献：
  名称：

  Phenyl thiazolyl urea and carbamate derivatives as new inhibitors of bacterial cell-wall biosynthesis

  摘要：

  Over 50 phenyl thiazolyl urea and carbamate derivatives were synthesized for evaluation as new inhibitors of bacterial cell-wall biosynthesis. Many of them demonstrated good activity against MurA and MurB and gram-positive bacteria including MRSA, VRE and PRSP. 3,4-Difluorophenyl 5-cyanothiazolylurea (3p) with clog P of 2.64 demonstrated antibacterial activity against both gram-positive and gram-negative bacteria. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.082
• 作为产物：
  描述：

  硫脲 、 2-Cyano-acetimidic acid isobutyl ester; hydrochloride 在 1,3-二溴-5,5-二甲基海因 作用下， 生成 2-Amino-4-(2-methylpropoxy)-1,3-thiazole-5-carbonitrile
  参考文献：
  名称：

  Phenyl thiazolyl urea and carbamate derivatives as new inhibitors of bacterial cell-wall biosynthesis

  摘要：

  Over 50 phenyl thiazolyl urea and carbamate derivatives were synthesized for evaluation as new inhibitors of bacterial cell-wall biosynthesis. Many of them demonstrated good activity against MurA and MurB and gram-positive bacteria including MRSA, VRE and PRSP. 3,4-Difluorophenyl 5-cyanothiazolylurea (3p) with clog P of 2.64 demonstrated antibacterial activity against both gram-positive and gram-negative bacteria. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.082