ChemSpider 2D Image | Methyl 5-((tert-butoxycarbonyl)(methyl)amino)thiazole-2-carboxylate | C11H16N2O4S

Methyl 5-((tert-butoxycarbonyl)(methyl)amino)thiazole-2-carboxylate

  • Molecular FormulaC11H16N2O4S
  • Average mass272.321 Da
  • Monoisotopic mass272.083069 Da
  • ChemSpider ID44253362

More details:

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

1810070-23-5 [RN]
2-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, methyl ester [ACD/Index Name]
5-(Méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-((tert-butoxycarbonyl)(methyl)amino)thiazole-2-carboxylate
Methyl 5-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-2-carboxylat [German] [ACD/IUPAC Name]
COC(=O)C1=NC=C(S1)N(C)C(=O)OC(C)(C)C
methyl 5-{[(tert-butoxy)carbonyl](methyl)amino}-1,3-thiazole-2-carboxylate
MFCD29037473

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 360.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±3.0 kJ/mol
    Flash Point: 171.5±25.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 69.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.80
    ACD/KOC (pH 5.5): 315.94
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.80
    ACD/KOC (pH 7.4): 315.95
    Polar Surface Area: 97 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 217.6±3.0 cm3

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