N-(dicyclopropylmethyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 570680
• Molecular Formular: C19H18FN3OS
• Molecular Mass: 355.4291232
• Monoisotopic Mass: 355.11546143
• SMILES: n12c(C(=O)NC(C3CC3)C3CC3)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)scc2C(=O)NC(C1CC1)C1CC1
• InChI: InChI=1S/C19H18FN3OS/c20-14-7-5-11(6-8-14)15-9-23-16(10-25-19(23)21-15)18(24)22-17(12-1-2-12)13-3-4-13/h5-10,12-13,17H,1-4H2,(H,22,24)
• InChIKey: QTYOWOXYYXTKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dicyclopropylmethyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-(dicyclopropylmethyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-(dicyclopropylmethyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.12297
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5826283
• LogD (pH = 7.4): 3.5842469
• Log P: 3.5842674
• Molar Refractivity: 105.8998 cm^3
• Polarizability: 36.859314 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.5
• LOG S: -6.25
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5