N-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-N-[(4-ethoxyphenyl)methyl]cyclopropanamine

• ChemBase ID: 754513
• Molecular Formular: C18H20ClN3OS
• Molecular Mass: 361.8889
• Monoisotopic Mass: 361.10156096
• SMILES: c1(n2c(nc1Cl)scc2)CN(C1CC1)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CN(C1CC1)Cc1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C18H20ClN3OS/c1-2-23-15-7-3-13(4-8-15)11-21(14-5-6-14)12-16-17(19)20-18-22(16)9-10-24-18/h3-4,7-10,14H,2,5-6,11-12H2,1H3
• InChIKey: IZLHBFHWBLQFFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-N-[(4-ethoxyphenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-N-[(4-ethoxyphenyl)methyl]cyclopropanamine
• Synonyms: N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-(4-ethoxybenzyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.789741
• LogD (pH = 7.4): 3.8116555
• Log P: 3.8680449
• Molar Refractivity: 110.8343 cm^3
• Polarizability: 37.881855 Å^3
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.1
• LOG S: -4.33
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 7