N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide | 25958-41-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide
• 英文别名: N-(5-methyl-[1,3,4]thiadiazol-2-yl)-propionamide；N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-propionamide；N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
• CAS: 25958-41-2
• 化学式: C₆H₉N₃OS
• mdl: MFCD00660364
• 分子量: 171.223
• InChiKey: IQEWUPIXSGWUSE-UHFFFAOYSA-N

物化性质

• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide 、 silver nitrate 以 甲醇 、 氯仿 为溶剂， 以45%的产率得到Ag2(N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide)3(NO3)2
  参考文献：
  名称：

  Five Ag(Ι) metal–organic coordination complexes with dinuclear units: Synthesis and crystal structures

  摘要：

  Five new Ag(I) metal-organic coordination complexes with dinuclear structure units, Ag-2(L-1)(2)(NO3)(2) (1), Ag-2(L-2)(3)(ClO4)(2) (2), Ag-2(L-2)(3)(NO3)(2) (3), [Ag-2(L-3)(3)(BF4)(2)](H2O)(0.25) (4) and [Ag-2(L-4)(2)(CH3OH)(2)](ClO4)(2) (5) were synthesized, using ligands L-1 (N-1,3,4-thiadiazol-2-yl-propionamide), L-2 [N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide], L-3 (N-1,3,4-thiadiazol-2-yl-benzamide) and L-4 [N-(5-methyl-1,3,4-thiadiazol-2-yl)-benzamide] as building blocks. All complexes were structurally characterized by elemental analyses, IR spectroscopy and X-ray diffraction. Complexes 1-5 have dinuclear structure units. Compounds 1 and 5 are centrosymmetric different from 2 to 4, in 2-4 two distinct Ag(I) were observed in the independent crystallographic dinuclear unit. In 1, 4 and 5, ligands bridge two Ag(I) atoms to form an approximately planar binuclear structure containing six-membered ring (Ag-N-N-)(2). In complexes 1-5, the Ag center dot center dot center dot Ag weak interactions were observed between the two non-bonding Ag(l) centers in the dinuclear unit and the Ag center dot center dot center dot Ag distance are in 3.150-3.481 angstrom. (c) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.04.013
• 作为产物：
  描述：

  2-氨基-5-甲基-1,3,4-噻二唑 、 丙酸酐 反应 0.17h， 生成 N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide
  参考文献：
  名称：

  Somogyi, Laszlo, Liebigs Annalen, 1995, # 4, p. 721 - 724

  摘要：

  DOI：

文献信息

• Study of the anticancer activity of N-(5-methyl-[1,3,4]thiadiazol-2-yl)-propionamide toward human tumor cells in vitro
  作者：N. S. Finiuk、I. V. Drapak、B. S. Zimenkovsky、R. S. Stoika

  DOI：10.7124/bc.000a86

  日期：2023.3.31
• Somogyi, Laszlo, Liebigs Annalen, 1995, # 4, p. 721 - 724
  作者：Somogyi, Laszlo

  DOI：——

  日期：——
• Five Ag(Ι) metal–organic coordination complexes with dinuclear units: Synthesis and crystal structures
  作者：Duo-Zhi Wang

  DOI：10.1016/j.molstruc.2009.04.013

  日期：2009.7

  Five new Ag(I) metal-organic coordination complexes with dinuclear structure units, Ag-2(L-1)(2)(NO3)(2) (1), Ag-2(L-2)(3)(ClO4)(2) (2), Ag-2(L-2)(3)(NO3)(2) (3), [Ag-2(L-3)(3)(BF4)(2)](H2O)(0.25) (4) and [Ag-2(L-4)(2)(CH3OH)(2)](ClO4)(2) (5) were synthesized, using ligands L-1 (N-1,3,4-thiadiazol-2-yl-propionamide), L-2 [N-(5-methyl-1,3,4-thiadiazol-2-yl)-propionamide], L-3 (N-1,3,4-thiadiazol-2-yl-benzamide) and L-4 [N-(5-methyl-1,3,4-thiadiazol-2-yl)-benzamide] as building blocks. All complexes were structurally characterized by elemental analyses, IR spectroscopy and X-ray diffraction. Complexes 1-5 have dinuclear structure units. Compounds 1 and 5 are centrosymmetric different from 2 to 4, in 2-4 two distinct Ag(I) were observed in the independent crystallographic dinuclear unit. In 1, 4 and 5, ligands bridge two Ag(I) atoms to form an approximately planar binuclear structure containing six-membered ring (Ag-N-N-)(2). In complexes 1-5, the Ag center dot center dot center dot Ag weak interactions were observed between the two non-bonding Ag(l) centers in the dinuclear unit and the Ag center dot center dot center dot Ag distance are in 3.150-3.481 angstrom. (c) 2009 Elsevier B.V. All rights reserved.