[11C]butylthio-TZTP   

GtoPdb Ligand ID: 3268

Synonyms: [11C]butylthio-TZTP (PET ligand)
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 82.56
Molecular weight 269.1
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCSc1nsnc1C1=CCCN(C1)C
Isomeric SMILES [11CH3]CCCSc1nsnc1C1=CCCN(C1)C
InChI InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3/i1-1
InChI Key SFXHHGRYNXLPKT-BJUDXGSMSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-butylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
Synonyms
[11C]butylthio-TZTP (PET ligand)
Database Links
GtoPdb PubChem SID 178100311
PubChem CID 73755038
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