ChemSpider 2D Image | (5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one | C15H19FN2O2S

(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one

  • Molecular FormulaC15H19FN2O2S
  • Average mass310.387 Da
  • Monoisotopic mass310.115112 Da
  • ChemSpider ID24690255

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one
(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
(5S)-2-{[(1S)-1-(4-Fluorophényl)éthyl]amino}-5-(2-hydroxy-2-propanyl)-5-méthyl-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
(5S)-2-{[(1S)-1-(4-Fluorphenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
4(5H)-Thiazolone, 2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-5-(1-hydroxy-1-methylethyl)-5-methyl-, (5S)- [ACD/Index Name]
(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-4-one
(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455907/

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

352 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.8±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.5±30.4 °C
Index of Refraction: 1.585
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.06
ACD/KOC (pH 5.5): 276.20
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.07
ACD/KOC (pH 7.4): 276.23
Polar Surface Area: 87 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 245.7±7.0 cm3

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