thioperamide

Ligand id: 1267

Name: thioperamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 76.04
Molecular weight 292.17
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide
Synonyms
MR 12842
Database Links
BindingDB Ligand 22914
CAS Registry No. 106243-16-7 (source: Scifinder)
ChEMBL Ligand CHEMBL260374
PubChem CID 3035905
RCSB PDB Ligand FJZ
Search Google for chemical match using the InChIKey QKDDJDBFONZGBW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QKDDJDBFONZGBW
Search UniChem for chemical match using the InChIKey QKDDJDBFONZGBW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QKDDJDBFONZGBW
Wikipedia Thioperamide