2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 466133
• Molecular Formular: C16H20N4OS
• Molecular Mass: 316.4212
• Monoisotopic Mass: 316.13578228
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)Cc1nc(sc1)C
• Canonical SMILES: O=C(Cc1csc(n1)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C16H20N4OS/c1-10-15(14-3-4-17-6-12(14)7-18-10)8-19-16(21)5-13-9-22-11(2)20-13/h7,9,17H,3-6,8H2,1-2H3,(H,19,21)
• InChIKey: FOGQMUPBFLCWNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.922317
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5983646
• LogD (pH = 7.4): -1.0647864
• Log P: 0.43184358
• Molar Refractivity: 86.9664 cm^3
• Polarizability: 33.301544 Å^3
• Polar Surface Area: 66.91 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: -0.6
• LOG S: -1.0
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4