2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-1,3-thiazole-4-carboxamide

• ChemBase ID: 498862
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(nc(cs1)C(=O)N)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1scc(n1)C(=O)N
• InChI: InChI=1S/C19H19N3O3S/c1-24-15-5-4-12-8-14(3-2-13(12)9-15)17-10-22(6-7-25-17)19-21-16(11-26-19)18(20)23/h2-5,8-9,11,17H,6-7,10H2,1H3,(H2,20,23)
• InChIKey: IJPCVZYVUZTDBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
• Synonyms: 2-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.210562
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0583673
• LogD (pH = 7.4): 3.0583684
• Log P: 3.0583682
• Molar Refractivity: 100.1454 cm^3
• Polarizability: 39.020176 Å^3
• Polar Surface Area: 77.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -3.17
• Polar Surface Area: 77.68 Å^2
• Rotatable Bonds: 4