N-(4-fluorophenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-amine

• ChemBase ID: 361181
• Molecular Formular: C16H18FN3OS
• Molecular Mass: 319.3970232
• Monoisotopic Mass: 319.11546143
• SMILES: c1(C(=O)N2CC(Nc3ccc(F)cc3)CCC2)c(ncs1)C
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1scnc1C
• InChI: InChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)16(21)20-8-2-3-14(9-20)19-13-6-4-12(17)5-7-13/h4-7,10,14,19H,2-3,8-9H2,1H3
• InChIKey: CUIZVPXEBYPWQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0177689
• LogD (pH = 7.4): 2.0758133
• Log P: 2.076606
• Molar Refractivity: 86.2242 cm^3
• Polarizability: 31.643871 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.68
• LOG S: -4.32
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3