N-(3,4-difluorophenyl)-1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-amine

• ChemBase ID: 652909
• Molecular Formular: C18H20F2N4S
• Molecular Mass: 362.4400064
• Monoisotopic Mass: 362.1376741
• SMILES: c12n(c(c(n1)C)CN1CC(Nc3cc(c(cc3)F)F)CCC1)ccs2
• Canonical SMILES: Cc1nc2n(c1CN1CCCC(C1)Nc1ccc(c(c1)F)F)ccs2
• InChI: InChI=1S/C18H20F2N4S/c1-12-17(24-7-8-25-18(24)21-12)11-23-6-2-3-14(10-23)22-13-4-5-15(19)16(20)9-13/h4-5,7-9,14,22H,2-3,6,10-11H2,1H3
• InChIKey: SGHNZORFQDKCSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.63846594
• LogD (pH = 7.4): 2.3428843
• Log P: 2.8114862
• Molar Refractivity: 108.4509 cm^3
• Polarizability: 35.693928 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.08
• LOG S: -4.84
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 4