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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15605
CHEMBL15605
Compound Name THIAZOLE
ChEMBL Synonyms Thiazole | Thiazol-3-ium chloride
Max Phase 0
Trade Names
Molecular Formula C3H3NS

Additional synonyms for CHEMBL15605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cscn1
Standard InChI InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
Standard InChI Key FZWLAAWBMGSTSO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15605

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
85.1 84.9986 0.29 0 41.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.72 .44 .44 1 5 0.45

Structural Alerts

There are no structural alerts for CHEMBL15605

Compound Cross References

ChemSpider ChemSpider:FZWLAAWBMGSTSO-UHFFFAOYSA-N
Wikipedia Thiazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15605



ACToR 288-47-1
ChEBI 43732
eMolecules 482970
EPA CompTox Dashboard DTXSID2059776
FDA SRS 320RCW8PEF
Human Metabolome Database HMDB0029713
IBM Patent System 7B26A1F683B2D590578C3979B59F6A86
Mcule MCULE-2839580990
MolPort MolPort-000-158-628
Nikkaji J26D
NMRShiftDB 10016219
PDBe LOM
PubChem 9256
PubChem: Thomson Pharma 15218658
SureChEMBL SCHEMBL6291 SCHEMBL17100604
ZINC ZINC000001484626

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FZWLAAWBMGSTSO-UHFFFAOYSA-N spacer
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