1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-ethylthiourea | 881551-43-5

• 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-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-ethylthiourea
• CAS: 881551-43-5
• 化学式: C₁₂H₁₂ClN₃S₂
• 分子量: 297.832
• InChiKey: LAWZCANLAPIQCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-ethylthiourea 在 sodium acetate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the P. berghei Mouse Model

  摘要：

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).

  DOI：

  10.1021/jm0606241
• 作为产物：
  描述：

  2-氨基-4-(4-氯苯基)噻唑 、 异硫氰酸乙酯 以 苯 为溶剂， 反应 10.0h， 生成 1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-ethylthiourea
  参考文献：
  名称：

  Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the P. berghei Mouse Model

  摘要：

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).

  DOI：

  10.1021/jm0606241