ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL510309
CHEMBL510309
Compound Name BENZO[D]THIAZOLE
ChEMBL Synonyms Benzothiazole | Benzo[D]Thiazole
Max Phase 0
Trade Names
Molecular Formula C7H5NS

Additional synonyms for CHEMBL510309 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2scnc2c1
Standard InChI InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Standard InChI Key IOJUPLGTWVMSFF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL510309

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
135.2 135.0143 2.3 0 12.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .85 1.9 1.9 2 9 0.54

Structural Alerts

There are no structural alerts for CHEMBL510309

Compound Cross References

ChemSpider ChemSpider:IOJUPLGTWVMSFF-UHFFFAOYSA-N
PubChem SID: 144209051 SID: 144213549 SID: 17389158 SID: 56322737
Wikipedia Benzothiazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL510309



ACToR 95-16-9 128366-28-9
BindingDB 50444460
Brenda 177162
ChEBI 45993
ChemicalBook CB1720657
eMolecules 477688
EPA CompTox Dashboard DTXSID7024586
FDA SRS G5BW2593EP
Human Metabolome Database HMDB0032930
IBM Patent System 1294BF6CC21A1618208C314756FBDC67
Mcule MCULE-5257468117
Metabolights MTBLC45993
MolPort MolPort-001-779-851
Nikkaji J40.177C
NMRShiftDB 10023372
PubChem 7222
PubChem: Thomson Pharma 15363581
SureChEMBL SCHEMBL8430
ZINC ZINC000000019726

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