ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15605
CHEMBL15605
Compound Name THIAZOLE
ChEMBL Synonyms Thiazol-3-ium chloride | Thiazole
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

Structural Alerts

There are no structural alerts for CHEMBL15605

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

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
FDA SRS 320RCW8PEF
Human Metabolome Database HMDB29713
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
ZINC ZINC01484626

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