4-cyclopropyl-1,3-thiazole (CED0311220)

Record Information
Version1.0
Creation Date2026-09-01 09:49:23 UTC
Update Date2026-09-01 09:49:23 UTC
SynCED IDCED0311220
Secondary Accession Numbers
  • CHEM356985
Identification
Common Name4-cyclopropyl-1,3-thiazole
ClassSmall Molecule
Description
4-cyclopropyl-1,3-thiazole is a chemical compound with the formula C6H7NS. It has an average molecular weight of 125.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H7NS
Average Molecular MassNot Available
Monoisotopic Mass125.030 g/mol
CAS Registry Number433217-34-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CC1C2=CSC=N2
InChI IdentifierInChI=1S/C6H7NS/c1-2-5(1)6-3-8-4-7-6/h3-5H,1-2H2
InChI KeyPORZAPRIAFXQOU-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
280.0 Log mg/kg [160:500]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.282 Low confidence
Statistical Significance
0.6078
Supporting Reference Compounds
507
E-value
4731.6
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.282 Low confidence
Statistical Significance
0.2585
Supporting Reference Compounds
150
E-value
2012.25
Prostaglandin-H2 D-isomerase structureClick to view 3D structureProstaglandin-H2 D-isomeraseP41222HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0344
Supporting Reference Compounds
1
E-value
267.646
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.282 Low confidence
Statistical Significance
0.6069
Supporting Reference Compounds
256
E-value
4724.36
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.282 Low confidence
Statistical Significance
0.937
Supporting Reference Compounds
793
E-value
7294.78
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.207 Low confidence
Statistical Significance
0.7291
Supporting Reference Compounds
294
E-value
5676.22
Hematopoietic prostaglandin D synthase structureClick to view 3D structureHematopoietic prostaglandin D synthaseO35543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.196 Low confidence
Statistical Significance
0.06
Supporting Reference Compounds
2
E-value
466.862
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.213 Low confidence
Statistical Significance
0.7236
Supporting Reference Compounds
139
E-value
5632.86
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.213 Low confidence
Statistical Significance
0.979
Supporting Reference Compounds
1498
E-value
7621.83
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.208 Low confidence
Statistical Significance
0.9634
Supporting Reference Compounds
1660
E-value
7499.76
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.213 Low confidence
Statistical Significance
0.6614
Supporting Reference Compounds
125
E-value
5148.95
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.282 Low confidence
Statistical Significance
0.9275
Supporting Reference Compounds
553
E-value
7220.83
EF-hand calcium-binding domain-containing protein 4B structureClick to view 3D structureEF-hand calcium-binding domain-containing protein 4BQ9BSW2HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.177 Low confidence
Statistical Significance
0.1321
Supporting Reference Compounds
1
E-value
1028.08
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.19 Low confidence
Statistical Significance
0.9824
Supporting Reference Compounds
1245
E-value
7647.83
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.19 Low confidence
Statistical Significance
0.9827
Supporting Reference Compounds
1130
E-value
7650.24
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9402
Supporting Reference Compounds
487
E-value
7319.31
Sodium channel protein type 8 subunit alpha structureClick to view 3D structureSodium channel protein type 8 subunit alphaQ9UQD0HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.186 Low confidence
Statistical Significance
0.5179
Supporting Reference Compounds
65
E-value
4031.97
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9285
Supporting Reference Compounds
386
E-value
7228.3
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.189 Low confidence
Statistical Significance
0.968
Supporting Reference Compounds
1029
E-value
7536.04
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9272
Supporting Reference Compounds
340
E-value
7218.41
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9702
Supporting Reference Compounds
953
E-value
7552.7
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.208 Low confidence
Statistical Significance
0.9642
Supporting Reference Compounds
764
E-value
7506.22
Tyrosine-protein kinase JAK1 structureClick to view 3D structureTyrosine-protein kinase JAK1P23458HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.17 Low confidence
Statistical Significance
0.9248
Supporting Reference Compounds
368
E-value
7199.5
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.17 Low confidence
Statistical Significance
0.9725
Supporting Reference Compounds
1022
E-value
7571.07
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.209 Low confidence
Statistical Significance
0.9583
Supporting Reference Compounds
385
E-value
7460.45
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available