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

• ChemBase ID: 779354
• Molecular Formular: C20H24N4O2S
• Molecular Mass: 384.49516
• Monoisotopic Mass: 384.16199703
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NC[C@@H]1N(CCC1)CC
• Canonical SMILES: CCN1CCC[C@@H]1CNC(=O)c1csc2n1cc(n2)c1ccccc1OC
• InChI: InChI=1S/C20H24N4O2S/c1-3-23-10-6-7-14(23)11-21-19(25)17-13-27-20-22-16(12-24(17)20)15-8-4-5-9-18(15)26-2/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,21,25)/t14-/m1/s1
• InChIKey: INEFNNPRDRUMTN-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.966936
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3310877
• LogD (pH = 7.4): 1.4290568
• Log P: 2.5039897
• Molar Refractivity: 118.5713 cm^3
• Polarizability: 41.97217 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.18
• LOG S: -4.72
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6