4-(4-{[2-(5-chlorothiophen-2-yl)-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 777464
• Molecular Formular: C15H15ClN4OS2
• Molecular Mass: 366.8888
• Monoisotopic Mass: 366.0375808
• SMILES: c1(nc(cs1)Cn1c(c2sc(cc2)Cl)ncc1)N1CCOCC1
• Canonical SMILES: Clc1ccc(s1)c1nccn1Cc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C15H15ClN4OS2/c16-13-2-1-12(23-13)14-17-3-4-20(14)9-11-10-22-15(18-11)19-5-7-21-8-6-19/h1-4,10H,5-9H2
• InChIKey: LWKQGKHFEUGUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{[2-(5-chlorothiophen-2-yl)-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(4-{[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(4-{[2-(5-chloro-2-thienyl)-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4483442
• LogD (pH = 7.4): 3.6846292
• Log P: 3.688942
• Molar Refractivity: 102.1409 cm^3
• Polarizability: 35.667217 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.27
• LOG S: -2.96
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4