6-(2-chlorophenyl)-N,N-bis(prop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 356552
• Molecular Formular: C18H16ClN3OS
• Molecular Mass: 357.85714
• Monoisotopic Mass: 357.07026083
• SMILES: n12c(C(=O)N(CC=C)CC=C)csc1nc(c2)c1c(Cl)cccc1
• Canonical SMILES: C=CCN(C(=O)c1csc2n1cc(n2)c1ccccc1Cl)CC=C
• InChI: InChI=1S/C18H16ClN3OS/c1-3-9-21(10-4-2)17(23)16-12-24-18-20-15(11-22(16)18)13-7-5-6-8-14(13)19/h3-8,11-12H,1-2,9-10H2
• InChIKey: OUSJZLJECMERCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-N,N-bis(prop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-chlorophenyl)-N,N-bis(prop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N,N-diallyl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.10948
• LogD (pH = 7.4): 4.110847
• Log P: 4.110864
• Molar Refractivity: 110.1561 cm^3
• Polarizability: 38.20515 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: 3.78
• LOG S: -5.02
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6