ChemSpider 2D Image | 3-{[4-Ethyl-3-(1H-imidazol-2-yl)-1-piperazinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine | C14H23N7S

3-{[4-Ethyl-3-(1H-imidazol-2-yl)-1-piperazinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64392831

More details:






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

1,2,4-Thiadiazol-5-amine, 3-[[4-ethyl-3-(1H-imidazol-2-yl)-1-piperazinyl]methyl]-N,N-dimethyl- [ACD/Index Name]
3-{[4-Ethyl-3-(1H-imidazol-2-yl)-1-piperazinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amin [German] [ACD/IUPAC Name]
3-{[4-Ethyl-3-(1H-imidazol-2-yl)-1-piperazinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine [ACD/IUPAC Name]
3-{[4-Éthyl-3-(1H-imidazol-2-yl)-1-pipérazinyl]méthyl}-N,N-diméthyl-1,2,4-thiadiazol-5-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 546.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 92 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

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