2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide

• ChemBase ID: 611556
• Molecular Formular: C12H15N5OS2
• Molecular Mass: 309.4104
• Monoisotopic Mass: 309.07180213
• SMILES: s1c(nnc1C)SCC(=O)NC(Cc1nccnc1)C
• Canonical SMILES: CC(Cc1cnccn1)NC(=O)CSc1nnc(s1)C
• InChI: InChI=1S/C12H15N5OS2/c1-8(5-10-6-13-3-4-14-10)15-11(18)7-19-12-17-16-9(2)20-12/h3-4,6,8H,5,7H2,1-2H3,(H,15,18)
• InChIKey: DEDHGYXUIKICAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• Synonyms: N-(1-methyl-2-pyrazin-2-ylethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105032
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.20861207
• LogD (pH = 7.4): -0.2086056
• Log P: -0.20860544
• Molar Refractivity: 79.908 cm^3
• Polarizability: 30.371689 Å^3
• Polar Surface Area: 80.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.91
• LOG S: -1.99
• Polar Surface Area: 80.66 Å^2
• Rotatable Bonds: 6