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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38737
CHEMBL38737
Compound Name THIOACETAMIDE
ChEMBL Synonyms Thioacetamide
Max Phase 0
Trade Names
Molecular Formula C2H5NS

Additional synonyms for CHEMBL38737 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=N)S
Standard InChI InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
Standard InChI Key YUKQRDCYNOVPGJ-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL38737

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
75.1 75.0143 0.91 0 23.85 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.77 13.75 .15 -2.35 0 4 0.24

Structural Alerts

There are 13 structural alerts for CHEMBL38737. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUKQRDCYNOVPGJ-UHFFFAOYSA-N
PubChem SID: 144211612
Wikipedia Thioacetamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38737



ACToR 1482-80-0 62-55-5
Atlas thioacetamide
Brenda 104281 5620 170807
ChEBI 32497
ChemicalBook CB7755552
eMolecules 484586
EPA CompTox Dashboard DTXSID9021340
FDA SRS 075T165X8M
KEGG Ligand C19302
Mcule MCULE-4635097605
MolPort MolPort-000-871-960
Nikkaji J2.350G
NMRShiftDB 20202112
PubChem 2723949
PubChem: Thomson Pharma 14867124
SureChEMBL SCHEMBL22851
ZINC ZINC000040454337

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