4-methyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]benzenesulfonamide
• 化学式: C₁₁H₁₁N₃O₂S₂
• 分子量: 281.359
• InChiKey: IVSUKUDJFRFLMZ-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  间氨基苯甲腈 、 4-methyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]benzenesulfonamide 在 盐酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-(5-Thiazol-2-yl-tetrazol-2-yl)-benzonitrile
  参考文献：
  名称：

  Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity

  摘要：

  Structure-activity relationship studies focused on bio-isosteric replacements of 2-pyridyl resulted in mGlu5 receptor antagonists with reduced inhibition of cytochrome P450 1A2. This led to highly potent, selective and orally bioavailable 2-imidazolyl tetrazoles such as (10) that are devoid of cytochrome P450 inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.018
• 作为产物：
  描述：

  2-醛基噻唑 、 对甲苯磺酰肼 以 乙醇 为溶剂， 生成 4-methyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]benzenesulfonamide
  参考文献：
  名称：

  Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity

  摘要：

  Structure-activity relationship studies focused on bio-isosteric replacements of 2-pyridyl resulted in mGlu5 receptor antagonists with reduced inhibition of cytochrome P450 1A2. This led to highly potent, selective and orally bioavailable 2-imidazolyl tetrazoles such as (10) that are devoid of cytochrome P450 inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.018