2-amino-4-methyl-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-1,3-thiazole-5-carboxamide

• ChemBase ID: 511083
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: c1(c(nc(s1)N)C)C(=O)NCCCn1c(=O)cccc1C
• Canonical SMILES: Nc1sc(c(n1)C)C(=O)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C14H18N4O2S/c1-9-5-3-6-11(19)18(9)8-4-7-16-13(20)12-10(2)17-14(15)21-12/h3,5-6H,4,7-8H2,1-2H3,(H2,15,17)(H,16,20)
• InChIKey: HDXSCSBTGQDRRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methyl-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 2-amino-4-methyl-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• Synonyms: 2-amino-4-methyl-N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.418114
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15406513
• LogD (pH = 7.4): 0.15650286
• Log P: 0.15653408
• Molar Refractivity: 85.4483 cm^3
• Polarizability: 30.4818 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.15
• LOG S: -2.87
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 5