3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amine

HCID 57742792

Basic information

Standard SMILES
c1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C3CCNCC3)ns2)cc1
InChIKey
XXNRDNXIPHATNM-UHFFFAOYSA-N
Molecular formula
C23H22N6OS2
Average molar mass
462.6 g/mol
Monoisotopic mass
462.12965169

Names & identifiers

Preferred name
3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amine
IUPAC
N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-3-piperidin-4-yl-1,2,4-thiadiazol-5-amine

Names & synonyms

SCHEMBL1329787XXNRDNXIPHATNM-UHFFFAOYSA-N3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio) pyridin-2-amine3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amineN-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-yl)-3-(piperidin-4-yl)-1,2,4-thiadiazol-5-amine

Database identifiers

PubChem CID
57742792

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
32

Related reactions

14 records

Compound notes

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