3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (CED0001305)

Record Information
Version1.0
Creation Date2026-04-04 18:47:29 UTC
Update Date2026-04-04 18:47:29 UTC
Accession NumberCHEM078125
Identification
Common Name3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
ClassSmall Molecule
Description
3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide is an organic compound with the formula C18H17N5S and an average molecular weight of 414.33 g/mol. 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide belongs to the tetrazolines, a subclass of azolines within the organic compounds. This organoheterocyclic compound has been found in or released from two recorded sources: food, food processing & cookware (specifically the preparation of malt) and electrical & electronic equipment (antennas).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H17N5S
Average Molecular Mass414.330 g/mol
Monoisotopic Mass335.120 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
InChI IdentifierInChI=1/C18H17N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3,(H,20,21);1H
InChI KeyNBWRJAOOMGASJP-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1078.0Log mg/kg[610:1900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)509.056
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)602.164
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1628.76
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)1167.27
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)4095.34
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)885.068
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)5037.39
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)4926.14
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)4863.94
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)4555.97
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)936.448
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)2132.91
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)5058.95
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)4393.42
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)363.322
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)666.078
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)4264.58
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)1438.5
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)4607.51
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)2162.5
Click to view 3D structureDihydrolipoyl dehydrogenaseP9WHH9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)85.3227
Click to view 3D structureDihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complexP9WIS7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)83.0651
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)5326.37
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)4988.81
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)5066.89
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available