1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone

HCID 57742634

Basic information

Standard SMILES
CC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1
InChIKey
MGSFDMFRYXZHBE-UHFFFAOYSA-N
Molecular formula
C25H24N6O2S2
Average molar mass
504.6 g/mol
Monoisotopic mass
504.14021638

Names & identifiers

Preferred name
1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
IUPAC
1-[4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone

Names & synonyms

CHEMBL4638110SCHEMBL1329603MGSFDMFRYXZHBE-UHFFFAOYSA-NBDBM505401951-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone

Database identifiers

PubChem CID
57742634
ChEMBL
CHEMBL4638110

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
147 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
35

Related reactions

4 records

Compound notes

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