6-(3-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 499695
• Molecular Formular: C19H16FN3O2S
• Molecular Mass: 369.4126432
• Monoisotopic Mass: 369.09472599
• SMILES: n12c(C(=O)N(Cc3oc(cc3)C)C)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1nc2n(c1)c(cs2)C(=O)N(Cc1ccc(o1)C)C
• InChI: InChI=1S/C19H16FN3O2S/c1-12-6-7-15(25-12)9-22(2)18(24)17-11-26-19-21-16(10-23(17)19)13-4-3-5-14(20)8-13/h3-8,10-11H,9H2,1-2H3
• InChIKey: AXDLYAWTYKCKLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluorophenyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1697376
• LogD (pH = 7.4): 3.1712832
• Log P: 3.171303
• Molar Refractivity: 109.3955 cm^3
• Polarizability: 37.351303 Å^3
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.77
• LOG S: -5.79
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 4