N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(morpholin-3-yl)acetamide

• ChemBase ID: 654595
• Molecular Formular: C12H16N4O2S
• Molecular Mass: 280.34604
• Monoisotopic Mass: 280.09939677
• SMILES: c12nc(cn1ccs2)CNC(=O)CC1NCCOC1
• Canonical SMILES: C(c1cn2c(n1)scc2)NC(=O)CC1COCCN1
• InChI: InChI=1S/C12H16N4O2S/c17-11(5-9-8-18-3-1-13-9)14-6-10-7-16-2-4-19-12(16)15-10/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,17)
• InChIKey: VDHZPZPYDGUUSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(morpholin-3-yl)acetamide
• Synonyms: N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.002937
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8928332
• LogD (pH = 7.4): -1.1664263
• Log P: -0.59393245
• Molar Refractivity: 82.4858 cm^3
• Polarizability: 27.628763 Å^3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.3
• LOG S: -2.3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4