ChemSpider 2D Image | Methyl 3-{5-[([1,3]thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}propanoate | C13H11N5O3S2

Methyl 3-{5-[([1,3]thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}propanoate

  • Molecular FormulaC13H11N5O3S2
  • Average mass349.388 Da
  • Monoisotopic mass349.030334 Da
  • ChemSpider ID35205640

More details:

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

1,3,4-Thiadiazole-2-propanoic acid, 5-[(thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-, methyl ester [ACD/Index Name]
3-{5-[([1,3]Thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{5-[([1,3]thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}propanoate [ACD/IUPAC Name]
Methyl-3-{5-[([1,3]thiazolo[5,4-b]pyridin-2-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}propanoat [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: 1.721
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 98.27
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 163 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 223.6±3.0 cm3

Click to predict properties on the Chemicalize site


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