ChemSpider 2D Image | Ethyl 4-methyl-2-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate | C12H13N5O4S2

Ethyl 4-methyl-2-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate

  • Molecular FormulaC12H13N5O4S2
  • Average mass355.393 Da
  • Monoisotopic mass355.040894 Da
  • ChemSpider ID23390136

More details:

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

4-Méthyl-2-({2-[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acétyl}amino)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[2-[(4,5-dihydro-5-oxo-1,2,4-triazin-3-yl)thio]acetyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-2-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 4-methyl-2-({[(5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate
Ethyl-4-methyl-2-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-1,3-thiazol-5-carboxylat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 96.19
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.83
Polar Surface Area: 176 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 218.0±7.0 cm3

Click to predict properties on the Chemicalize site


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