ChemSpider 2D Image | (5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one | C12H13FN2OS

(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one

  • Molecular FormulaC12H13FN2OS
  • Average mass252.308 Da
  • Monoisotopic mass252.073257 Da
  • ChemSpider ID24684429
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
(5R)-2-[(2-Fluorophényl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
(5R)-2-[(2-Fluorphenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
4(5H)-Thiazolone, 2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-, (5R)- [ACD/Index Name]
(5R)-2-[(2-fluorophenyl)amino]-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one
(5R)-2-[(2-fluorophenyl)amino]-5-isopropyl-5H-1,3-thiazol-4-one
CHEMBL392452
ZMG

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

Density: 1.3±0.1 g/cm3
Boiling Point: 338.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.4±28.4 °C
Index of Refraction: 1.619
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.35
ACD/KOC (pH 5.5): 499.71
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.35
ACD/KOC (pH 7.4): 499.72
Polar Surface Area: 67 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 191.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement