N-cyclopropyl-6-phenyl-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 543150
• Molecular Formular: C18H19N3OS
• Molecular Mass: 325.42796
• Monoisotopic Mass: 325.12488324
• SMILES: c1(n2c(nc(c2)c2ccccc2)sc1)C(=O)N(C1CC1)CCC
• Canonical SMILES: CCCN(C(=O)c1csc2n1cc(n2)c1ccccc1)C1CC1
• InChI: InChI=1S/C18H19N3OS/c1-2-10-20(14-8-9-14)17(22)16-12-23-18-19-15(11-21(16)18)13-6-4-3-5-7-13/h3-7,11-12,14H,2,8-10H2,1H3
• InChIKey: JSOACOYVSOHJGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6-phenyl-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-6-phenyl-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-cyclopropyl-6-phenyl-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3876195
• LogD (pH = 7.4): 3.3891947
• Log P: 3.3892148
• Molar Refractivity: 103.5097 cm^3
• Polarizability: 36.08314 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.74
• LOG S: -4.77
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5