3-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-amine

• ChemBase ID: 581995
• Molecular Formular: C12H16N4OS
• Molecular Mass: 264.34664
• Monoisotopic Mass: 264.10448215
• SMILES: c1(c(nccn1)OC)N(CCc1c(ncs1)C)C
• Canonical SMILES: COc1nccnc1N(CCc1scnc1C)C
• InChI: InChI=1S/C12H16N4OS/c1-9-10(18-8-15-9)4-7-16(2)11-12(17-3)14-6-5-13-11/h5-6,8H,4,7H2,1-3H3
• InChIKey: XFWSIRSZSTYEME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-amine
• IUPAC Traditional name: 3-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-amine
• Synonyms: 3-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6114053
• LogD (pH = 7.4): 1.6129061
• Log P: 1.6129253
• Molar Refractivity: 72.325 cm^3
• Polarizability: 26.807142 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.68
• LOG S: -3.42
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5