4-[6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,2-dimethylpiperazine

• ChemBase ID: 523697
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: n12c(C(=O)N3CC(N(CC3)C)C)csc1nc(c2)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)c1cn2c(n1)scc2C(=O)N1CCN(C(C1)C)C
• InChI: InChI=1S/C20H24N4OS/c1-4-15-5-7-16(8-6-15)17-12-24-18(13-26-20(24)21-17)19(25)23-10-9-22(3)14(2)11-23/h5-8,12-14H,4,9-11H2,1-3H3
• InChIKey: RYQLVXGXVLTANK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,2-dimethylpiperazine
• IUPAC Traditional name: 4-[6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,2-dimethylpiperazine
• Synonyms: 3-[(3,4-dimethyl-1-piperazinyl)carbonyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8096304
• LogD (pH = 7.4): 3.1358967
• Log P: 3.2660046
• Molar Refractivity: 117.137 cm^3
• Polarizability: 41.215374 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.92
• LOG S: -4.24
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2