{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[1-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 486778
• Molecular Formular: C18H22N4OS2
• Molecular Mass: 374.52348
• Monoisotopic Mass: 374.12350334
• SMILES: c1(nc2n(c1CNC(c1sccc1)C)ccs2)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC(c1cccs1)C)ccs2)N1CCCCC1
• InChI: InChI=1S/C18H22N4OS2/c1-13(15-6-5-10-24-15)19-12-14-16(20-18-22(14)9-11-25-18)17(23)21-7-3-2-4-8-21/h5-6,9-11,13,19H,2-4,7-8,12H2,1H3
• InChIKey: GEILZHMRLYUJFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[1-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: {[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[1-(thiophen-2-yl)ethyl]amine
• Synonyms: N-{[6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1-(2-thienyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7849857
• LogD (pH = 7.4): 2.446663
• Log P: 2.859739
• Molar Refractivity: 113.201 cm^3
• Polarizability: 38.613655 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.44
• LOG S: -4.35
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5