Methyl 3-(5-phenoxy-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)propanoate

HCID 57742885
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Basic information

Standard SMILES
COC(=O)CCSc1cnc(Nc2nc3cccnc3s2)c(Oc2ccccc2)c1
InChIKey
XPBQORIAQMDSGU-UHFFFAOYSA-N
Molecular formula
C21H18N4O3S2
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
Methyl 3-(5-phenoxy-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)propanoate
IUPAC
methyl 3-[[5-phenoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-3-pyridinyl]sulfanyl]propanoate

Names & synonyms

SCHEMBL1330033XPBQORIAQMDSGU-UHFFFAOYSA-NMethyl 3-(5-phenoxy-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)propanoate

Database identifiers

PubChem CID
57742885

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
30

Related reactions

4 records
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Compound notes

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