4-(1-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)morpholine

• ChemBase ID: 634946
• Molecular Formular: C15H24N4OS
• Molecular Mass: 308.44226
• Monoisotopic Mass: 308.16708241
• SMILES: c1(ncc(s1)CN1CC(N2CCOCC2)C1)N1CCCC1
• Canonical SMILES: O1CCN(CC1)C1CN(C1)Cc1cnc(s1)N1CCCC1
• InChI: InChI=1S/C15H24N4OS/c1-2-4-19(3-1)15-16-9-14(21-15)12-17-10-13(11-17)18-5-7-20-8-6-18/h9,13H,1-8,10-12H2
• InChIKey: XRVQPHJVHVQQHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}azetidin-3-yl)morpholine
• Synonyms: 4-{1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]azetidin-3-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.15199943
• LogD (pH = 7.4): 1.4661514
• Log P: 1.5923523
• Molar Refractivity: 85.8309 cm^3
• Polarizability: 32.903976 Å^3
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.28
• LOG S: 0.51
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 4