{[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}dimethylamine

• ChemBase ID: 592045
• Molecular Formular: C16H24N4OS
• Molecular Mass: 320.45296
• Monoisotopic Mass: 320.16708241
• SMILES: c1(c(n2c(n1)scc2)CN(C)C)C(=O)N1CCCCCCC1
• Canonical SMILES: CN(Cc1c(nc2n1ccs2)C(=O)N1CCCCCCC1)C
• InChI: InChI=1S/C16H24N4OS/c1-18(2)12-13-14(17-16-20(13)10-11-22-16)15(21)19-8-6-4-3-5-7-9-19/h10-11H,3-9,12H2,1-2H3
• InChIKey: RXFBWHBYAWGILO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}dimethylamine
• IUPAC Traditional name: {[6-(azocane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}dimethylamine
• Synonyms: 1-[6-(azocan-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18151441
• LogD (pH = 7.4): 1.7761747
• Log P: 2.0779948
• Molar Refractivity: 101.7764 cm^3
• Polarizability: 34.036312 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: 3
• H Donor: 0
• Log P: 2.8
• LOG S: -3.93
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3