5-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-2-p-tolyl-2,4-dihydro-1,2,4-triazole | 1279692-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-2-p-tolyl-2,4-dihydro-1,2,4-triazole
• 英文别名: 5-Methyl-2-(4-methylphenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-one；5-methyl-2-(4-methylphenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-one
• CAS: 1279692-72-6
• 化学式: C₁₃H₁₃N₅OS
• 分子量: 287.345
• InChiKey: NUCPYNUEKLTAGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-甲基-1,3,4-噻二唑 、 5-methyl-4-p-tolyl-3H-[1,3,4]oxadiazol-2-one 以 乙醇 为溶剂， 反应 6.0h， 以73%的产率得到5-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-2-p-tolyl-2,4-dihydro-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of novel 2-(3′-aryl-sydnon-4′-ylidene)-5′-substituted-[1,3,4]-thiadiazolylamines and [1,3,4]-thiadiazol-2′-yl-3-oxo-[1,2,4]-triazoles as antimicrobial agents

  摘要：

  The title compounds (3g-n) and (6g-n) were synthesized using 3-arylsydnones as synthons, and the structures were confirmed by IR, H-1 NMR, FAB mass and CHN analysis. These compounds were evaluated for their antibacterial and the antifungal activities in terms of minimum inhibitory concentrations (MICs) against the bacterial strains E. coli, B. cereus, and the fungal strains A. niger, C. albicans. Some of the compounds have shown significant activities.

  DOI：

  10.1007/s00044-011-9596-2

文献信息

• Synthesis of novel 2-(3′-aryl-sydnon-4′-ylidene)-5′-substituted-[1,3,4]-thiadiazolylamines and [1,3,4]-thiadiazol-2′-yl-3-oxo-[1,2,4]-triazoles as antimicrobial agents
  作者：Soujanya Bansode、Ravindra Kamble

  DOI：10.1007/s00044-011-9596-2

  日期：2012.6

  The title compounds (3g-n) and (6g-n) were synthesized using 3-arylsydnones as synthons, and the structures were confirmed by IR, H-1 NMR, FAB mass and CHN analysis. These compounds were evaluated for their antibacterial and the antifungal activities in terms of minimum inhibitory concentrations (MICs) against the bacterial strains E. coli, B. cereus, and the fungal strains A. niger, C. albicans. Some of the compounds have shown significant activities.