6-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 584036
• Molecular Formular: C19H20ClN3OS
• Molecular Mass: 373.8996
• Monoisotopic Mass: 373.10156096
• SMILES: n12c(C(=O)N(CC3CC3)CCC)csc1nc(c2)c1cc(Cl)ccc1
• Canonical SMILES: CCCN(C(=O)c1csc2n1cc(n2)c1cccc(c1)Cl)CC1CC1
• InChI: InChI=1S/C19H20ClN3OS/c1-2-8-22(10-13-6-7-13)18(24)17-12-25-19-21-16(11-23(17)19)14-4-3-5-15(20)9-14/h3-5,9,11-13H,2,6-8,10H2,1H3
• InChIKey: LTOPZCRMUMQTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3066874
• LogD (pH = 7.4): 4.3082523
• Log P: 4.3082724
• Molar Refractivity: 113.0453 cm^3
• Polarizability: 39.789917 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.51
• LOG S: -5.83
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4