2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]-1-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

• ChemBase ID: 859104
• Molecular Formular: C19H22N4OS
• Molecular Mass: 354.46918
• Monoisotopic Mass: 354.15143234
• SMILES: c12nc(cn1ccs2)C(NCC(=O)N1c2c(cc(cc2)C)CCC1)C
• Canonical SMILES: Cc1ccc2c(c1)CCCN2C(=O)CNC(c1cn2c(n1)scc2)C
• InChI: InChI=1S/C19H22N4OS/c1-13-5-6-17-15(10-13)4-3-7-23(17)18(24)11-20-14(2)16-12-22-8-9-25-19(22)21-16/h5-6,8-10,12,14,20H,3-4,7,11H2,1-2H3
• InChIKey: DSEPUKNNPLXEDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]-1-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
• Synonyms: (1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)[2-(6-methyl-3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.617851
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1212645
• LogD (pH = 7.4): 2.5801213
• Log P: 2.7760656
• Molar Refractivity: 111.1617 cm^3
• Polarizability: 38.20778 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.97
• LOG S: -4.32
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4