methyl[1-(pyrazin-2-yl)propan-2-yl](1,3-thiazol-4-ylmethyl)amine

• ChemBase ID: 478224
• Molecular Formular: C12H16N4S
• Molecular Mass: 248.34724
• Monoisotopic Mass: 248.10956753
• SMILES: n1c(CN(C(Cc2nccnc2)C)C)csc1
• Canonical SMILES: CN(C(Cc1cnccn1)C)Cc1cscn1
• InChI: InChI=1S/C12H16N4S/c1-10(5-11-6-13-3-4-14-11)16(2)7-12-8-17-9-15-12/h3-4,6,8-10H,5,7H2,1-2H3
• InChIKey: JXKYCGDPIKWORG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyrazin-2-yl)propan-2-yl](1,3-thiazol-4-ylmethyl)amine
• IUPAC Traditional name: methyl[1-(pyrazin-2-yl)propan-2-yl](1,3-thiazol-4-ylmethyl)amine
• Synonyms: N-methyl-1-pyrazin-2-yl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9382655
• LogD (pH = 7.4): 0.49851134
• Log P: 0.67909515
• Molar Refractivity: 68.1817 cm^3
• Polarizability: 26.56022 Å^3
• Polar Surface Area: 41.91 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: 0.15
• LOG S: -0.13
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5