[3H]tiotidine   

GtoPdb Ligand ID: 3959

Synonyms: [3H]-tiotidine
   
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 191.04
Molecular weight 312.09
XLogP 0.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N
Isomeric SMILES N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N
InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
InChI Key YDDXVAXDYKBWDX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine
Synonyms
[3H]-tiotidine
Database Links
ChEMBL Ligand CHEMBL269646
GtoPdb PubChem SID 178100786
PubChem CID 50287
Search Google for chemical match using the InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YDDXVAXDYKBWDX
Search UniChem for chemical match using the InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YDDXVAXDYKBWDX

Product suppliers

View disclaimer

Tocris
Tiotidine
Cat. No. 0826