ChemSpider 2D Image | 4-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-pyrimidinamine | C15H11F3N4S

4-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-pyrimidinamine

  • Molecular FormulaC15H11F3N4S
  • Average mass336.335 Da
  • Monoisotopic mass336.065643 Da
  • ChemSpider ID34499231

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyrimidinamine, 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-5-thiazolyl]- [ACD/Index Name]
4-{4-Methyl-2-[3-(trifluormethyl)phenyl]-1,3-thiazol-5-yl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-pyrimidinamine [ACD/IUPAC Name]
4-{4-Méthyl-2-[3-(trifluorométhyl)phényl]-1,3-thiazol-5-yl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}pyrimidin-2-amine
499795-87-8 [RN]
MFCD28347946

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 520.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 268.8±32.9 °C
    Index of Refraction: 1.597
    Molar Refractivity: 82.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 412.37
    ACD/KOC (pH 5.5): 2591.27
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 412.73
    ACD/KOC (pH 7.4): 2593.56
    Polar Surface Area: 93 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 241.2±3.0 cm3

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