[(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine

• ChemBase ID: 340599
• Molecular Formular: C15H24N4S
• Molecular Mass: 292.44286
• Monoisotopic Mass: 292.17216779
• SMILES: c1(sc(nc1C)C)CN(Cc1cn(nc1)CC)C(C)C
• Canonical SMILES: CCn1ncc(c1)CN(C(C)C)Cc1sc(nc1C)C
• InChI: InChI=1S/C15H24N4S/c1-6-19-9-14(7-16-19)8-18(11(2)3)10-15-12(4)17-13(5)20-15/h7,9,11H,6,8,10H2,1-5H3
• InChIKey: OLWBITVIGYXKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: [(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethylpyrazol-4-yl)methyl]isopropylamine
• Synonyms: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.18725012
• LogD (pH = 7.4): 1.5722338
• Log P: 2.2428339
• Molar Refractivity: 96.0574 cm^3
• Polarizability: 32.35222 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.55
• LOG S: -2.5
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6