THIAMINE Next Previous

ChEMBL ID CHEMBL1547
PubChem CID 1130
DrugBank Accession Number DB00152
ClinicalTrials THIAMINE
Molecular Formula C12H17N4OS+
Inchikey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Cas Number 59-43-8

Smiles
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1

Synonyms
Betaxin, Thiamine (Vit B1), Vitamin B 1

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 265.36
Rotatable Bonds 4
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 0.61
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