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1-[4-(4-Oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl]-piperidin-4-one

HCID 73178201
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Basic information

Standard SMILES
O=C1CCN(c2ccc(C=C3SC(=S)NC3=O)cc2)CC1
InChIKey
SFAKVQSRJQDNHC-UHFFFAOYSA-N
Molecular formula
C15H14N2O2S2
Average molar mass
318.4 g/mol

Names & identifiers

Preferred name
1-[4-(4-Oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl]-piperidin-4-one
IUPAC
5-[[4-(4-oxopiperidin-1-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Names & synonyms

SCHEMBL6074509SFAKVQSRJQDNHC-UHFFFAOYSA-N1-[4-(4-Oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl]-piperidin-4-one1-[4-(4-Oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl]-piperidine-4-one

Database identifiers

PubChem CID
73178201

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
486

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Related reactions

8 records
New reaction record
HRID 667676 reaction equation
HRID 667676As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1061217 reaction equation
HRID 1061217As productuspto-grants-2003_02
HRID 1061239 reaction equation
HRID 1061239As reactantuspto-grants-2003_02
HRID 1061248 reaction equation
HRID 1061248As reactantuspto-grants-2003_02
HRID 1794719 reaction equation
HRID 1794719As productuspto-grants-2006_04
HRID 1794742 reaction equation
HRID 1794742As reactantuspto-grants-2006_04
HRID 2155948 reaction equation
HRID 2155948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2331466 reaction equation
HRID 2331466As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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