3H-Spiro[1,3-benzothiazole-2,1'-cyclopentane] 3H-螺[苯并[d]噻唑-2,1'-环戊烷]

CAS 183-31-3 MFCD01935547

化学结构图

183-31-3
SMILES: c1ccc2c(c1)NC1(CCCC1)S2

化学属性

Mol. Weight191.29
Mol. FormulaC11H13NS
Melting Point50-52°

别名和识别编码

Chemical Name3H-Spiro[1,3-benzothiazole-2,1'-cyclopentane]
Alfabeta NameSPIROBENZOTHIAZOLECYCLOPENTANE H31321[]----,,'
MDL NumberMFCD01935547
CAS Number183-31-3
Chemical Name Translation3H-螺[苯并[d]噻唑-2,1'-环戊烷]
LabNetwork Molecule IDLN00157610
PubChem Substance ID12376233
InChIInChI=1S/C11H13NS/c1-2-6-10-9(5-1)12-11(13-10)7-3-4-8-11/h1-2,5-6,12H,3-4,7-8H2
Synonym 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3H-spiro[benzo[d]thiazole-2,1'-cyclopentane] {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3H-spi
Canonical SMILESC1=CC=C2C(=C1)NC3(CCCC3)S2
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
0
Rotatable Bonds
0
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzothiazoles 苯并噻唑

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