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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL344760
CHEMBL344760
Compound Name AMINOTHIAZOLE
ChEMBL Synonyms RP 2921 | Aminothiazole
Max Phase 0
Trade Names
Molecular Formula C3H4N2S

Additional synonyms for CHEMBL344760 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nccs1
Standard InChI InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
Standard InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL344760

Molecule Features

CHEMBL344760 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMINOTHIAZOLE
The Cochrane Collaboration AMINOTHIAZOLE

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
100.2 100.0095 0.73 0 38.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.94 0 0 1 6 0.52

Structural Alerts

There are 2 structural alerts for CHEMBL344760. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RAIPHJJURHTUIC-UHFFFAOYSA-N
PubChem SID: 144204644 SID: 144207924 SID: 17389350 SID: 26747317
Wikipedia Aminothiazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL344760



ACToR 96-50-4 5654-01-3
BindingDB 50240843
Brenda 49701
ChEBI 40782
ChemicalBook CB5215834
eMolecules 477239 27677553
EPA CompTox Dashboard DTXSID5024508
FDA SRS 5K8WKN668K
IBM Patent System 0D7CF81426BF828265E79F714F557F1E
Mcule MCULE-8550608343
MolPort MolPort-023-219-642 MolPort-000-872-071
Nikkaji J3.972A
NMRShiftDB 10009168
PDBe AMT
PubChem 2155
PubChem: Thomson Pharma 15170456
SureChEMBL SCHEMBL7401
ZINC ZINC000008579603

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