Tert-butyl 4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate

HCID 57742666

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1
InChIKey
XLYVNNFTLWKAIG-UHFFFAOYSA-N
Molecular formula
C28H30N6O3S2
Average molar mass
562.7 g/mol
Monoisotopic mass
562.18208119

Names & identifiers

Preferred name
Tert-butyl 4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL1330248XLYVNNFTLWKAIG-UHFFFAOYSA-NTert-butyl 4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate

Database identifiers

PubChem CID
57742666

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
39

Related reactions

5 records

Compound notes

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