2,2,2-trifluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide | 138613-73-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2,2-trifluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
• CAS: 138613-73-7
• 化学式: C₁₀H₆F₃N₃OS
• 分子量: 273.24
• InChiKey: DJHPHQHYSCEWHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0455356A1

  公开（公告）日：1991-11-06

  Pharmaceutical compounds of the following formula are described: in which R¹ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, hydroxy-C₁₋₄ alkyl, optionally substituted phenyl, optionally substituted phenyl-C₁₋₄ alkyl or a heterocycle selected from: where R³ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy, nitro, halo, cyano, trifluoromethyl, carboxyl or -CONH₂, and R⁴ is C₁₋₄ alkyl; and R² is hydrogen, C₁₋₄ alkyl, phenyl or thienyl substituted with a carboxyl or C₁₋₄ alkoxy-carbonyl group, an acyl group of the formula R⁵CO- where R⁵ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, halo C₁₋₄ alkyl, C₁₋₄ alkoxy, halo-C₁₋₄ alkoxy, phenyl, phenyl-C₁₋₄ alkyl, -NHC₁₋₄ alkyl, -NH phenyl or where R⁶ is C₁₋₄ alkyl, or a group of the formula -CH=C(COC₁₋₄ alkoxy)₂; or a salt thereof.

  以下是描述的具有以下结构的药物化合物： 其中R¹为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、羟基-C₁₋₄烷基、可选择取代的苯基、可选择取代的苯基-C₁₋₄烷基或从以下选取的杂环： 其中R³为氢、C₁₋₄烷基、C₁₋₄烷氧基、硝基、卤素、氰基、三氟甲基、羧基或-CONH₂，R⁴为C₁₋₄烷基；而R²为氢、C₁₋₄烷基、苯基或经羧基或C₁₋₄烷氧基羰基取代的噻吩基，具有R⁵CO-式的酰基，其中R⁵为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、卤素C₁₋₄烷基、C₁₋₄烷氧基、卤素-C₁₋₄烷氧基、苯基、苯基-C₁₋₄烷基、-NHC₁₋₄烷基、-NH苯基或 其中R⁶为C₁₋₄烷基，或具有-CH=C(COC₁₋₄烷氧基)₂式的基团；或其盐。