N-methyl-2-(methylsulfanyl)-N-(pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 653426
• Molecular Formular: C11H12N4OS2
• Molecular Mass: 280.36918
• Monoisotopic Mass: 280.04525302
• SMILES: c1(nc(sc1)SC)C(=O)N(Cc1nccnc1)C
• Canonical SMILES: CN(C(=O)c1csc(n1)SC)Cc1cnccn1
• InChI: InChI=1S/C11H12N4OS2/c1-15(6-8-5-12-3-4-13-8)10(16)9-7-18-11(14-9)17-2/h3-5,7H,6H2,1-2H3
• InChIKey: OYDOTHPXOFSUSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylsulfanyl)-N-(pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-methyl-2-(methylsulfanyl)-N-(pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-methyl-2-(methylthio)-N-(pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9989457
• LogD (pH = 7.4): 0.99894863
• Log P: 0.99894863
• Molar Refractivity: 71.775 cm^3
• Polarizability: 27.411396 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.72
• LOG S: -1.94
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 4