ChemSpider 2D Image | 4-[2,5-Dimethyl-1-(1H-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]-N-[2-(2-thienyl)ethyl]-1,3-thiazol-2-amine | C17H18N6S2

4-[2,5-Dimethyl-1-(1H-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]-N-[2-(2-thienyl)ethyl]-1,3-thiazol-2-amine

  • Molecular FormulaC17H18N6S2
  • Average mass370.495 Da
  • Monoisotopic mass370.103424 Da
  • ChemSpider ID22100754

More details:

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

2-Thiazolamine, 4-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]-N-[2-(2-thienyl)ethyl]- [ACD/Index Name]
4-[2,5-Dimethyl-1-(1H-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]-N-[2-(2-thienyl)ethyl]-1,3-thiazol-2-amin [German] [ACD/IUPAC Name]
4-[2,5-Dimethyl-1-(1H-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]-N-[2-(2-thienyl)ethyl]-1,3-thiazol-2-amine [ACD/IUPAC Name]
4-[2,5-Diméthyl-1-(1H-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]-N-[2-(2-thiényl)éthyl]-1,3-thiazol-2-amine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 618.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 418.27
ACD/KOC (pH 5.5): 2575.82
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 148.72
ACD/KOC (pH 7.4): 915.82
Polar Surface Area: 128 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site


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