(z)-4-[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid (CED0251480)

Record Information
Version1.0
Creation Date2026-08-28 17:01:07 UTC
Update Date2026-08-28 17:01:07 UTC
Accession NumberCHEM296094
Identification
Common Name(z)-4-[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
ClassSmall Molecule
Description
(z)-4-[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid belongs to the thiazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C16H13ClN2O5S and an average molecular weight of 380.80 g/mol. The substance is found in or released from six recorded sources. These sources include household items, specifically coins, as well as electrical and electronic equipment. Within the category of electrical and electronic equipment, it is associated with magnets, superconducting magnets and superconducting coils, antennas, and line transmission systems.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC16H13ClN2O5S
Average Molecular MassNot Available
Monoisotopic Mass380.023 g/mol
CAS Registry Number74241-17-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC(=O)CC1=C(N=C(S1)NC(=O)C=CC(=O)O)C2=CC=C(C=C2)Cl
InChI IdentifierInChI=1S/C16H13ClN2O5S/c1-24-14(23)8-11-15(9-2-4-10(17)5-3-9)19-16(25-11)18-12(20)6-7-13(21)22/h2-7H,8H2,1H3,(H,21,22)(H,18,19,20)/b7-6-
InChI KeyBLRBOMBBUUGKFU-SREVYHEPSA-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
3454.0Log mg/kg[1900:6100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
571CoinsHousehold itemsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDGAT1 proteinQ9BRH5Homo sapiensPredicted (SEA)1.32344
Click to view 3D structureTopoisomerase IQ2HPH0Bos taurusPredicted (SEA)4.04816
Click to view 3D structureTransient receptor potential cation channel subfamily M member 1Q2TV84Mus musculusPredicted (SEA)30.2055
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)292.324
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)1362.52
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)265.31
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)337.943
Click to view 3D structureTranslocator proteinP30536HumansPredicted (SEA)99.4135
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)253.01
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)195.946
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)252.854
Click to view 3D structureShort transient receptor potential channel 4Q9QUQ5Mus musculusPredicted (SEA)281.97
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)2473.81
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)1952.15
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)3510.45
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)529.608
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)1688.86
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)2002.75
Click to view 3D structureMisshapen-like kinase 1Q8N4C8HumansPredicted (SEA)1604.47
Click to view 3D structurePerilipin-1O60240HumansPredicted (SEA)36.3556
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)2278.34
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)2141.24
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)2135.56
Click to view 3D structureTranslocator proteinP16257Rattus norvegicusPredicted (SEA)32.0739
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)2149.88
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available