ChemSpider 2D Image | N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido-Propanamide | C12H14N4O2S

N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido-Propanamide

  • Molecular FormulaC12H14N4O2S
  • Average mass278.330 Da
  • Monoisotopic mass278.083740 Da
  • ChemSpider ID28518260

More details:

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

N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido-Propanamide
N3-Carbamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-Carbamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)-β-alaninamide [ACD/IUPAC Name]
N3-Carbamoyl-N-(2-méthyl-1,3-benzothiazol-6-yl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(aminocarbonyl)amino]-N-(2-methyl-6-benzothiazolyl)- [ACD/Index Name]
88S
LDHA Inhibitor, 22

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.4±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±29.0 °C
Index of Refraction: 1.694
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 44.52
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.53
Polar Surface Area: 125 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

Click to predict properties on the Chemicalize site


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