N-(4-fluorophenyl)-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine

• ChemBase ID: 707998
• Molecular Formular: C18H19FN4OS
• Molecular Mass: 358.4330632
• Monoisotopic Mass: 358.12636047
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C18H19FN4OS/c1-12-16(23-9-10-25-18(23)20-12)17(24)22-8-2-3-15(11-22)21-14-6-4-13(19)5-7-14/h4-7,9-10,15,21H,2-3,8,11H2,1H3
• InChIKey: DRDLNLISOYYNFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9657322
• LogD (pH = 7.4): 2.024577
• Log P: 2.02538
• Molar Refractivity: 108.5636 cm^3
• Polarizability: 35.513153 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -5.53
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3