N-1,3-Benzothiazol-6-ylthiourea | 499984-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-1,3-Benzothiazol-6-ylthiourea
• 英文别名: 1,3-benzothiazol-6-ylthiourea
• CAS: 499984-83-7
• 化学式: C₈H₇N₃S₂
• 分子量: 209.3
• InChiKey: VNTAMSUZHCDFFP-UHFFFAOYSA-N

物化性质

• 沸点：
  389.3±34.0 °C(Predicted)
• 密度：
  1.557±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives
  申请人：Love John Christopher

  公开号：US20070203189A1

  公开（公告）日：2007-08-30

  This invention concerns the use of a compound of formula (I′) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein Z is halo; C 1-6 alkyl; C 1-6 alkylcarbonyl; C 1-6 alkyloxycarbonyl; aminocarbonyl; C 1-6 alkyl substituted with hydroxy, carboxyl, cyano, amino, amino substituted with piperidinyl, amino substituted with C 1-4 alkyl substituted piperidinyl, mono- or di(C 1-6 alkyl)amino, aminocarbonyl, mono- or di(C 1-6 alkyl)aminocarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkyloxy, piperidinyl, piperazinyl, morpholinyl, thiomorpholinyl; polyhaloC 1-4 alkyl; cyano; amino; mono- or di(C 1-6 alkyl)aminocarbonyl; C 1-6 alkyloxycarbonyl; C 1-6 alkylcarbonyloxy; aminoS(═O) 2 —; mono- or di(C 1-6 alkyl)aminoS(═O) 2 ; —C(═N—R x )NR y R z ; Q is optionally substituted C 3-6 cycloalkyl, phenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl, benzthiazolyl, benzoxazolyl, benzimidazolyl, indazolyl, or imidazopyridyl, or Q is a radical of formula L is optionally substituted phenyl or an optionally substituted monocyclic 5 or 6-membered partially saturated or aromatic heterocycle or a bicyclic partially saturated or aromatic heterocycle; aryl is optionally substituted phenyl; for the manufacture of a medicament for the prevention or the treatment of inflammatory and/or auto-immune diseases mediated through TNF-α and/or IL-12.
• US7232838B2
  申请人：——

  公开号：US7232838B2

  公开（公告）日：2007-06-19
• US7803823B2
  申请人：——

  公开号：US7803823B2

  公开（公告）日：2010-09-28