3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

C17H15N3O2S — CID 5498782

IUPAC3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\SCC(=O)N2/N=C\c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-15-9-7-14(8-10-15)19-17-20(16(21)12-23-17)18-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b18-11-,19-17-
InChIKeyQEQGUFDQNSNLPA-JRHBGCFLSA-N
MW325.39 g/mol
LogP3.29
Rot. Bonds4

About 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 5498782) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID5498782
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\SCC(=O)N2/N=C\c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-15-9-7-14(8-10-15)19-17-20(16(21)12-23-17)18-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b18-11-,19-17-
InChIKeyQEQGUFDQNSNLPA-JRHBGCFLSA-N
XLogP3.29
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one
CID 17118331
3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352277
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5341305
4-[(E)-[2-(4-methoxy-2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide
CID 88853780
2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate
CID 6978844
3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one
CID 101465813
(2E,5E)-3-[(E)-benzylideneamino]-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 21234096
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 98107581
3-amino-2-phenylimino-1,3-thiazolidin-4-one
CID 6456050
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 5498782) is 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\SCC(=O)N2/N=C\c2ccccc2)cc1.
What is the InChIKey of 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is QEQGUFDQNSNLPA-JRHBGCFLSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-15-9-7-14(8-10-15)19-17-20(16(21)12-23-17)18-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b18-11-,19-17-.
What are the key properties of 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 325.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5498782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).