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

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

  • Molecular FormulaC13H15N5O5S
  • Average mass353.354 Da
  • Monoisotopic mass353.079376 Da
  • ChemSpider ID54414834

More details:

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

2-(1-{[(1,3-Dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}ethyl)-4-methyl-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-(1-{[(1,3-Dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}ethyl)-4-methyl-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[1-[[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino]ethyl]-4-methyl- [ACD/Index Name]
Acide 2-(1-{[(1,3-diméthyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}éthyl)-4-méthyl-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: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.6±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 218.0±7.0 cm3

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