3'-(4-phenylthiazol-2-ylamino)-5'-phenyl-1'H-pyrazole-1'-carbothioamide | 1616984-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3'-(4-phenylthiazol-2-ylamino)-5'-phenyl-1'H-pyrazole-1'-carbothioamide
• 英文别名: 5-Phenyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrazole-1-carbothioamide；5-phenyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrazole-1-carbothioamide
• CAS: 1616984-00-9
• 化学式: C₁₉H₁₅N₅S₂
• 分子量: 377.494
• InChiKey: VSFDGIFJRGVYBF-UHFFFAOYSA-N

物化性质

• 熔点：
  237-239 °C
• 沸点：
  643.2±65.0 °C(predicted)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3'-(4-phenylthiazol-2-ylamino)-5'-phenyl-1'H-pyrazole-1'-carbothioamide 、 2-溴苯乙酮 以 乙醇 为溶剂， 以70%的产率得到5'-phenyl-N-(4-phenylthiazol-2-yl)-1'-(4"-phenylthiazol-2"-yl)-1'H-pyrazol-3'-amine
  参考文献：
  名称：

  Synthesis and antimicrobial activity of amine linked bis- and tris-heterocycles

  摘要：

  A series of amine linked bis- and tris-heterocycles were prepared from heteroaryl cinnamamides and tested for antimicrobial activity. The compounds 11c and 12c exhibited excellent antibacterial activity while 12a and 12c displayed excellent antifungal activity. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.06.001
• 作为产物：
  描述：

  3'-(4-phenylthiazol-2-ylamino)-5'-phenyl-4',5'-dihydropyrazole-1'-carbothioamide 在 四氯苯醌 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以70%的产率得到3'-(4-phenylthiazol-2-ylamino)-5'-phenyl-1'H-pyrazole-1'-carbothioamide
  参考文献：
  名称：

  Synthesis and antimicrobial activity of amine linked bis- and tris-heterocycles

  摘要：

  A series of amine linked bis- and tris-heterocycles were prepared from heteroaryl cinnamamides and tested for antimicrobial activity. The compounds 11c and 12c exhibited excellent antibacterial activity while 12a and 12c displayed excellent antifungal activity. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.06.001

文献信息

• Synthesis and antimicrobial activity of amine linked bis- and tris-heterocycles
  作者：T. Bhanu Prakash、G. Dinneswara Reddy、A. Padmaja、V. Padmavathi

  DOI：10.1016/j.ejmech.2014.06.001

  日期：2014.7

  A series of amine linked bis- and tris-heterocycles were prepared from heteroaryl cinnamamides and tested for antimicrobial activity. The compounds 11c and 12c exhibited excellent antibacterial activity while 12a and 12c displayed excellent antifungal activity. (C) 2014 Elsevier Masson SAS. All rights reserved.