ChemSpider 2D Image | 4-Methyl-2-(1-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}ethyl)-1,3-thiazole-5-carboxylic acid | C13H15N5O5S

4-Methyl-2-(1-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}ethyl)-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC13H15N5O5S
  • Average mass353.354 Da
  • Monoisotopic mass353.079376 Da
  • ChemSpider ID54415067

More details:

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

4-Methyl-2-(1-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}ethyl)-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Methyl-2-(1-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}ethyl)-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[1-[[3-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]ethyl]- [ACD/Index Name]
Acide 4-méthyl-2-(1-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}éthyl)-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

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