N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide | 290810-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide
• 英文别名: N-(5-{cyano-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-hydrazono]-methyl}-[1,3,4]thiadiazol-2-yl)-benzamide；5-benzamido-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,3,4-thiadiazole-2-carboximidoyl cyanide
• CAS: 290810-83-2
• 化学式: C₂₂H₁₈N₈O₂S
• 分子量: 458.503
• InChiKey: GEEOZQJALCOSQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-氨基安替比林 、 N-[5-(氰基甲基)-1,3,4-噻二唑-2-基]苯甲酰胺 、 sodium nitrite 在 盐酸 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以77%的产率得到N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide
  参考文献：
  名称：

  Thermal stability, AC electrical conductivity and dielectric properties of N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide

  摘要：

  A novel organic compound containing antipyrine and thiadiazole moieties, N-(5-{[antipyrinylhydrazono]- cyanomethyl}-[1,3,4] thiadiazol-2-yl)-benzamide (ACTB) has been synthesized. The thermal properties, alternating current electrical conductivity (sigma(AC)) and electrical modulus of ACTB have been reported. The thermal properties were analyzed using differential scanning calorimetry and thermogravimetric measurements. The AC measurements of bulk ACTB were performed in frequency range 100 Hz-5 MHz and temperature range 303-503 K. The frequency dependence of AC conductivity is found to follow Jonscher's universal power law with the applicability of the correlated barrier hopping model. The temperature dependence of sigma(AC) could be described in terms of Arrhenius relation with two activation energies. The activation energy decreases with increasing frequency. The dielectric relaxation behavior is explained in terms of electric modulus formalism. At relatively higher temperatures, the imaginary modulus spectra exhibit asymmetric maxima with peak-width much broader than that of the Debye peak and are skewed toward the high frequency sides of the maxima with increasing temperature. The relaxation time is calculated and exhibited thermally activated process with activation energy of 0.77 eV. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2014.05.120