6-(4-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 572107
• Molecular Formular: C20H23FN4OS
• Molecular Mass: 386.4862232
• Monoisotopic Mass: 386.1576606
• SMILES: n12c(C(=O)N(CCN3CCCCC3)C)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: CN(C(=O)c1csc2n1cc(n2)c1ccc(cc1)F)CCN1CCCCC1
• InChI: InChI=1S/C20H23FN4OS/c1-23(11-12-24-9-3-2-4-10-24)19(26)18-14-27-20-22-17(13-25(18)20)15-5-7-16(21)8-6-15/h5-8,13-14H,2-4,9-12H2,1H3
• InChIKey: AYMGMAXIURBBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-fluorophenyl)-N-methyl-N-[2-(1-piperidinyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40795386
• LogD (pH = 7.4): 2.1835287
• Log P: 3.0560327
• Molar Refractivity: 117.4034 cm^3
• Polarizability: 40.9489 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.75
• LOG S: -4.36
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5