ChemSpider 2D Image | 5-(6-quinolinylmethylidene)-2-(thiophen-2-ylmethylamino)-4-thiazolone | C18H13N3OS2

5-(6-quinolinylmethylidene)-2-(thiophen-2-ylmethylamino)-4-thiazolone

  • Molecular FormulaC18H13N3OS2
  • Average mass351.445 Da
  • Monoisotopic mass351.049988 Da
  • ChemSpider ID45382217

More details:

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

4(5H)-Thiazolone, 5-(6-quinolinylmethylene)-2-[(2-thienylmethyl)amino]- [ACD/Index Name]
5-(6-Chinolinylmethylen)-2-[(2-thienylmethyl)amino]-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
5-(6-Quinoléinylméthylène)-2-[(2-thiénylméthyl)amino]-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
5-(6-Quinolinylmethylene)-2-[(2-thienylmethyl)amino]-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
5-(6-quinolinylmethylidene)-2-(thiophen-2-ylmethylamino)-4-thiazolone
5-[(Quinolin-6-yl)methylidene]-2-{[(thiophen-2-yl)methyl]amino}-1,3-thiazol-4(5H)-one
872573-93-8 [RN]
Ro 3306
Ro-3306

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 243.69
ACD/KOC (pH 5.5): 1752.19
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.73
ACD/KOC (pH 7.4): 1845.95
Polar Surface Area: 108 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 248.7±7.0 cm3

Click to predict properties on the Chemicalize site


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