ChemSpider 2D Image | 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(1H-pyrazol-3-yl)-1-piperidinyl]ethanone | C12H16N6OS2

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(1H-pyrazol-3-yl)-1-piperidinyl]ethanone

  • Molecular FormulaC12H16N6OS2
  • Average mass324.425 Da
  • Monoisotopic mass324.082703 Da
  • ChemSpider ID32062654

More details:

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

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(1H-pyrazol-3-yl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(1H-pyrazol-3-yl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(1H-pyrazol-3-yl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-[3-(1H-pyrazol-3-yl)-1-piperidinyl]- [ACD/Index Name]
5-({2-oxo-2-[3-(1H-pyrazol-3-yl)piperidin-1-yl]ethyl}thio)-1,3,4-thiadiazol-2-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 652.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.1±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 66.77
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 67.28
Polar Surface Area: 154 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

Click to predict properties on the Chemicalize site


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