tinidazole   Click here for help

GtoPdb Ligand ID: 12341

Synonyms: CP 12574 | Fasigyn® | Tindamax®
Approved drug
tinidazole is an approved drug (FDA (2004))
Compound class: Synthetic organic
Comment: Tinidazole is a nitroimidazole antimicrobial compound that exhibits antiprotozoal and antibacterial (against anaerobic bacteria) activities.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 103.48
Molecular weight 247.06
XLogP 0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
Isomeric SMILES CCS(=O)(=O)CCn1c(ncc1[N+](=O)[O-])C
InChI InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2004))
IUPAC Name Click here for help
1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole
International Nonproprietary Names Click here for help
INN number INN
2653 tinidazole
Synonyms Click here for help
CP 12574 | Fasigyn® | Tindamax®
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Tinidazole
Other databases
CAS Registry No. 19387-91-8 (source: Scifinder)
ChEBI CHEBI:63627
ChEMBL Ligand CHEMBL1220
DrugBank Ligand DB00911
GtoPdb PubChem SID 479821132
PubChem CID 5479
Search Google for chemical match using the InChIKey HJLSLZFTEKNLFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HJLSLZFTEKNLFI
Search PubMed clinical trials tinidazole
Search PubMed titles tinidazole
Search PubMed titles/abstracts tinidazole
UniChem Compound Search for chemical match using the InChIKey HJLSLZFTEKNLFI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HJLSLZFTEKNLFI-UHFFFAOYSA-N