2-[4-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)morpholin-3-yl]-N-phenylacetamide

• ChemBase ID: 600841
• Molecular Formular: C19H20N4O3S
• Molecular Mass: 384.4521
• Monoisotopic Mass: 384.12561152
• SMILES: c12nc(CC(=O)N3C(CC(=O)Nc4ccccc4)COCC3)cn1ccs2
• Canonical SMILES: O=C(CC1COCCN1C(=O)Cc1cn2c(n1)scc2)Nc1ccccc1
• InChI: InChI=1S/C19H20N4O3S/c24-17(20-14-4-2-1-3-5-14)11-16-13-26-8-6-23(16)18(25)10-15-12-22-7-9-27-19(22)21-15/h1-5,7,9,12,16H,6,8,10-11,13H2,(H,20,24)
• InChIKey: OOBWCPUBPWBUOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)morpholin-3-yl]-N-phenylacetamide
• IUPAC Traditional name: 2-[4-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)morpholin-3-yl]-N-phenylacetamide
• Synonyms: 2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-morpholinyl]-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.124795
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4343345
• LogD (pH = 7.4): 1.4476508
• Log P: 1.4478234
• Molar Refractivity: 113.8696 cm^3
• Polarizability: 38.718567 Å^3
• Polar Surface Area: 75.94 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: 2.51
• LOG S: -4.15
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5