N-[(4-methanesulfonylmorpholin-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

• ChemBase ID: 337118
• Molecular Formular: C13H18N4O4S2
• Molecular Mass: 358.43642
• Monoisotopic Mass: 358.07694708
• SMILES: c1(n2c(nc1C)scc2)C(=O)NCC1CN(S(=O)(=O)C)CCO1
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NCC1OCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C13H18N4O4S2/c1-9-11(17-4-6-22-13(17)15-9)12(18)14-7-10-8-16(3-5-21-10)23(2,19)20/h4,6,10H,3,5,7-8H2,1-2H3,(H,14,18)
• InChIKey: LIJNHOJKFAVUCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: 6-methyl-N-{[4-(methylsulfonyl)morpholin-2-yl]methyl}imidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.74301
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5000784
• LogD (pH = 7.4): -1.4992282
• Log P: -1.4992173
• Molar Refractivity: 96.5925 cm^3
• Polarizability: 33.124264 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.06
• LOG S: -2.72
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 3