6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 562340
• Molecular Formular: C19H16FN3O3S
• Molecular Mass: 385.4120432
• Monoisotopic Mass: 385.08964061
• SMILES: n12c(C(=O)N(Cc3occc3)C)csc1nc(c2)c1cc(c(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1F)c1cn2c(n1)scc2C(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C19H16FN3O3S/c1-22(9-13-4-3-7-26-13)18(24)16-11-27-19-21-15(10-23(16)19)12-5-6-17(25-2)14(20)8-12/h3-8,10-11H,9H2,1-2H3
• InChIKey: ZFQTZKAMTOAABO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluoro-4-methoxyphenyl)-N-(2-furylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.812489
• LogD (pH = 7.4): 2.8140504
• Log P: 2.8140705
• Molar Refractivity: 110.709 cm^3
• Polarizability: 38.13093 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.17
• LOG S: -4.67
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4