N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 480528
• Molecular Formular: C19H24FN3OS
• Molecular Mass: 361.4767632
• Monoisotopic Mass: 361.16241162
• SMILES: c1(C(=O)N(CC2CN(CCc3ccc(F)cc3)CCC2)C)ncsc1
• Canonical SMILES: Fc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)c1cscn1)C
• InChI: InChI=1S/C19H24FN3OS/c1-22(19(24)18-13-25-14-21-18)11-16-3-2-9-23(12-16)10-8-15-4-6-17(20)7-5-15/h4-7,13-14,16H,2-3,8-12H2,1H3
• InChIKey: QSATUFAHAXCIIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-1,3-thiazole-4-carboxamide
• Synonyms: N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.15691745
• LogD (pH = 7.4): 1.4728482
• Log P: 3.0006812
• Molar Refractivity: 99.5205 cm^3
• Polarizability: 37.515545 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.08
• LOG S: -3.28
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6