N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 841319
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(nc2n(c1)ccs2)C(=O)NC1CN(Cc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC(C1)NC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C19H22N4O2S/c1-25-16-6-2-4-14(10-16)11-22-7-3-5-15(12-22)20-18(24)17-13-23-8-9-26-19(23)21-17/h2,4,6,8-10,13,15H,3,5,7,11-12H2,1H3,(H,20,24)
• InChIKey: JHKKSEXLFAJAQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[1-(3-methoxybenzyl)-3-piperidinyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.342273
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33623183
• LogD (pH = 7.4): 1.9636881
• Log P: 2.3044283
• Molar Refractivity: 113.4216 cm^3
• Polarizability: 38.7848 Å^3
• Polar Surface Area: 58.87 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: 3.38
• LOG S: -4.79
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5