2-(4-aminophenyl)-5-(4-chlorophenyl)amino-1,3,4-thiadiazole | 126172-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-aminophenyl)-5-(4-chlorophenyl)amino-1,3,4-thiadiazole
• 英文别名: 5-(4-aminophenyl)-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
• CAS: 126172-68-7
• 化学式: C₁₄H₁₁ClN₄S
• 分子量: 302.787
• InChiKey: RFDPASSFHAISPX-UHFFFAOYSA-N

物化性质

• 熔点：
  188-190 °C(Solv: acetic acid (64-19-7); water (7732-18-5))
• 沸点：
  503.0±60.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫代异氰酸苯酯 、 2-(4-aminophenyl)-5-(4-chlorophenyl)amino-1,3,4-thiadiazole 以 丙酮 为溶剂， 以52.2%的产率得到1-[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]phenyl]-3-phenyl-thiourea
  参考文献：
  名称：

  Synthesis and antituberculosis activity of new N-phenyl-N′-[4-(5-alkyl/arylamino-1,3,4-thiadiazole-2-yl)phenyl]thioureas

  摘要：

  In this study, eight original N-phenyl-N'-[4-(5-alkyl/arylamino-1,3,4-thiadiazole-2-yl)phenyl]thiourea, derivatives were synthesized and tested for antituberculosis activity. Antituberculosis activities of the synthesized compounds were screened in vitro using BACTEC 460 Radiometric System against Mycobacterium tuberculosis H37Rv at 6.25 mug/ml. The highest inhibition observed with the synthesized compounds is 67% for N-phenyl-N'-[4-(5-cyclohexylamino-1,3,4-thiadiazole-2-yl)phenyl]thiourea. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01252-1
• 作为产物：
  描述：

  4-(苯甲酰基氨基)苯甲酸乙酯 在 硫酸 、 一水合肼 作用下， 生成 2-(4-aminophenyl)-5-(4-chlorophenyl)amino-1,3,4-thiadiazole
  参考文献：
  名称：

  Synthesis and antituberculosis activity of new N-phenyl-N′-[4-(5-alkyl/arylamino-1,3,4-thiadiazole-2-yl)phenyl]thioureas

  摘要：

  In this study, eight original N-phenyl-N'-[4-(5-alkyl/arylamino-1,3,4-thiadiazole-2-yl)phenyl]thiourea, derivatives were synthesized and tested for antituberculosis activity. Antituberculosis activities of the synthesized compounds were screened in vitro using BACTEC 460 Radiometric System against Mycobacterium tuberculosis H37Rv at 6.25 mug/ml. The highest inhibition observed with the synthesized compounds is 67% for N-phenyl-N'-[4-(5-cyclohexylamino-1,3,4-thiadiazole-2-yl)phenyl]thiourea. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01252-1