2-[4-(trifluoromethyl)phenyl]-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1,3-thiazole (CED0271086)

Record Information
Version1.0
Creation Date2026-08-29 19:11:50 UTC
Update Date2026-08-29 19:11:50 UTC
SynCED IDCED0271086
Secondary Accession Numbers
  • CHEM316231
Identification
Common Name2-[4-(trifluoromethyl)phenyl]-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1,3-thiazole
ClassSmall Molecule
Description
2-[4-(trifluoromethyl)phenyl]-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1,3-thiazole is a chemical compound with the formula C20H10F6N2S2 and an average molecular weight of 456.40 g/mol. This substance has been identified in or released from one recorded source: Electrical & Electronic Equipment (Antennas).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H10F6N2S2
Average Molecular MassNot Available
Monoisotopic Mass456.019 g/mol
CAS Registry Number869896-76-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC=C1C2=NC=C(S2)C3=CN=C(S3)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C20H10F6N2S2/c21-19(22,23)13-5-1-11(2-6-13)17-27-9-15(29-17)16-10-28-18(30-16)12-3-7-14(8-4-12)20(24,25)26/h1-10H
InChI KeyYPPDUFZJMJWOLJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1840.0 Log mg/kg [1000:3300]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.339
Statistical Significance
0.0862
Supporting Reference Compounds
797
E-value
670.905
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.339
Statistical Significance
0.1114
Supporting Reference Compounds
1029
E-value
867.24
Click to view 3D structureHematopoietic prostaglandin D synthaseQ9JHF7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.39
Statistical Significance
1.70e-04
Supporting Reference Compounds
2
E-value
1.32344
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.339
Statistical Significance
0.263
Supporting Reference Compounds
1660
E-value
2047.51
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.339
Statistical Significance
0.1892
Supporting Reference Compounds
715
E-value
1472.67
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.339
Statistical Significance
0.2431
Supporting Reference Compounds
905
E-value
1892.59
Poly [ADP-ribose] polymerase 2 structureClick to view 3D structurePoly [ADP-ribose] polymerase 2Q9UGN5HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.306
Statistical Significance
0.0141
Supporting Reference Compounds
79
E-value
109.69
Poly [ADP-ribose] polymerase tankyrase-2 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-2Q9H2K2HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.306
Statistical Significance
0.0175
Supporting Reference Compounds
90
E-value
136.548
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.306
Statistical Significance
0.0205
Supporting Reference Compounds
94
E-value
159.824
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.271 Low confidence
Statistical Significance
0.469
Supporting Reference Compounds
1498
E-value
3651.28
Inhibitor of nuclear factor kappa-B kinase subunit alpha structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit alphaO15111HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1331
Supporting Reference Compounds
309
E-value
1036.48
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.269 Low confidence
Statistical Significance
0.3516
Supporting Reference Compounds
1274
E-value
2737.33
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.28 Low confidence
Statistical Significance
0.3026
Supporting Reference Compounds
906
E-value
2355.48
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.28 Low confidence
Statistical Significance
0.2955
Supporting Reference Compounds
793
E-value
2300.21
Click to view 3D structureVoltage-gated potassium channel KCNC1P25122Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.25202
Click to view 3D structureACCaseH9BT73Alopecurus japonicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0041
Supporting Reference Compounds
1
E-value
31.9182
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0411
Supporting Reference Compounds
89
E-value
319.649
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.269 Low confidence
Statistical Significance
0.3682
Supporting Reference Compounds
1130
E-value
2866.72
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.269 Low confidence
Statistical Significance
0.311
Supporting Reference Compounds
754
E-value
2421.19
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0914
Supporting Reference Compounds
192
E-value
711.464
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.269 Low confidence
Statistical Significance
0.3563
Supporting Reference Compounds
1158
E-value
2773.85
Tyrosine-protein kinase ITK/TSK structureClick to view 3D structureTyrosine-protein kinase ITK/TSKQ08881HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.269 Low confidence
Statistical Significance
0.2522
Supporting Reference Compounds
570
E-value
1963.59
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.269 Low confidence
Statistical Significance
0.346
Supporting Reference Compounds
967
E-value
2693.97
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0709
Supporting Reference Compounds
127
E-value
552.029
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.269 Low confidence
Statistical Significance
0.3015
Supporting Reference Compounds
763
E-value
2347.54
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available