4-Methyl-5-pentyl-[1,2,3]thiadiazole | 94843-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Methyl-5-pentyl-[1,2,3]thiadiazole
• 英文别名: 4-Methyl-5-pentyl-1,2,3-thiadiazole；4-methyl-5-pentylthiadiazole
• CAS: 94843-31-9
• 化学式: C₈H₁₄N₂S
• 分子量: 170.279
• InChiKey: UUXAEVWXBCTZKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-十八烷氧基甲基-4-戊烯-1-醇 、 氯化亚砜 以36%的产率得到
  参考文献：
  名称：

  THOMAS, E. W.;NISHIZAWA, E. E.;ZIMMERMANN, D. C.;WILLIAMS, D. J., J. MED. CHEM., 1985, 28, N 4, 442-446

  摘要：

  DOI：

文献信息

• Synthesis and platelet aggregation inhibitory activity of 4,5-bis(substituted)-1,2,3-thiadiazoles
  作者：Edward W. Thomas、Edward E. Nishizawa、David C. Zimmermann、Davey J. Williams

  DOI：10.1021/jm00382a009

  日期：1985.4

  Routine screening of compounds for inhibition of collagen-induced platelet aggregation in vitro revealed 4,5-bis-(4-methoxyphenyl)-1,2,3-thiadiazole (2) was active and it represents the first example of a 1,2,3-thiadiazole with possible antithrombotic activity. In order to develop a structure-activity relationship for this heterocycle, a number of new 4(5)-mono- and -disubstituted 1,2,3-thiadiazoles were synthesized. These were tested in our screen and a number of additional active compounds were found. The most active compounds (2, 5a, 5b, and 6c) were those in which the heterocycle was substituted with benzene rings possessing para electron-donating groups.