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

• ChemBase ID: 671298
• Molecular Formular: C19H28N4OS
• Molecular Mass: 360.51682
• Monoisotopic Mass: 360.19838254
• SMILES: c1(c(n2c(n1)scc2)CN(C1CC1)CC)C(=O)N1CCCCCCC1
• Canonical SMILES: CCN(C1CC1)Cc1c(nc2n1ccs2)C(=O)N1CCCCCCC1
• InChI: InChI=1S/C19H28N4OS/c1-2-21(15-8-9-15)14-16-17(20-19-23(16)12-13-25-19)18(24)22-10-6-4-3-5-7-11-22/h12-13,15H,2-11,14H2,1H3
• InChIKey: IGGVMGNFJGMNHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6777527
• LogD (pH = 7.4): 2.39479
• Log P: 2.9003673
• Molar Refractivity: 113.7362 cm^3
• Polarizability: 38.82648 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.7
• LOG S: -4.99
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5