N,3,6-trimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}pyrazin-2-amine

• ChemBase ID: 615088
• Molecular Formular: C14H20N4S
• Molecular Mass: 276.4004
• Monoisotopic Mass: 276.14086766
• SMILES: n1c(scc1CN(c1nc(cnc1C)C)C)C(C)C
• Canonical SMILES: Cc1cnc(c(n1)N(Cc1csc(n1)C(C)C)C)C
• InChI: InChI=1S/C14H20N4S/c1-9(2)14-17-12(8-19-14)7-18(5)13-11(4)15-6-10(3)16-13/h6,8-9H,7H2,1-5H3
• InChIKey: IDLBFHUKLLUKSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,6-trimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}pyrazin-2-amine
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,3,6-trimethylpyrazin-2-amine
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,3,6-trimethyl-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.333311
• LogD (pH = 7.4): 2.3344529
• Log P: 2.3344674
• Molar Refractivity: 78.6102 cm^3
• Polarizability: 29.70092 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.55
• LOG S: -4.25
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 4