N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(pyrazin-2-yl)acetamide

• ChemBase ID: 686160
• Molecular Formular: C12H14N4OS
• Molecular Mass: 262.33076
• Monoisotopic Mass: 262.08883209
• SMILES: n1c(scc1C)C(NC(=O)Cc1nccnc1)C
• Canonical SMILES: O=C(NC(c1scc(n1)C)C)Cc1cnccn1
• InChI: InChI=1S/C12H14N4OS/c1-8-7-18-12(15-8)9(2)16-11(17)5-10-6-13-3-4-14-10/h3-4,6-7,9H,5H2,1-2H3,(H,16,17)
• InChIKey: CVPXODQDAQZNEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(pyrazin-2-yl)acetamide
• Synonyms: N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.29384
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.13466848
• LogD (pH = 7.4): 0.13479322
• Log P: 0.1347998
• Molar Refractivity: 67.6321 cm^3
• Polarizability: 26.276585 Å^3
• Polar Surface Area: 67.77 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: -0.03
• LOG S: -2.4
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4