ChemSpider 2D Image | N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide | C12H13N3O4S

N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide

  • Molecular FormulaC12H13N3O4S
  • Average mass295.314 Da
  • Monoisotopic mass295.062683 Da
  • ChemSpider ID26040714

More details:

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

4H-Pyran-2-carboxamide, 5-methoxy-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-4-oxo- [ACD/Index Name]
N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-4H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide [ACD/IUPAC Name]
N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-méthoxy-4-oxo-4H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]
1219576-83-6 [RN]
5-Methoxy-4-oxo-4H-pyran-2-carboxylic acid (5-isopropyl-3H-[1,3,4]thiadiazol-2-ylidene)-amide
5-methoxy-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyran-2-carboxamide
5-methoxy-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-pyran-2-carboxamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 471.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 238.7±31.5 °C
    Index of Refraction: 1.648
    Molar Refractivity: 73.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.01
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 29.43
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 29.43
    Polar Surface Area: 115 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 52.2±7.0 dyne/cm
    Molar Volume: 202.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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