5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C18H16N2O2S — CID 135420449

IUPAC5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-15-10-8-13(9-11-15)12-16-17(21)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyVNRKHRNSBQADSE-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.98
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135420449) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135420449
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-15-10-8-13(9-11-15)12-16-17(21)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyVNRKHRNSBQADSE-UHFFFAOYSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
5-[(4-octoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135400669
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137065155
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235
2-[4-[[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 135423622
(5Z)-2-phenylimino-5-[[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137035916
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135563230
2-[[5-[(4-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135523492
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730
(5E)-2-(4-ethoxyphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137139474
(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135700421
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135420895

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135420449) is 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VNRKHRNSBQADSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-15-10-8-13(9-11-15)12-16-17(21)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20,21).
What are the key properties of 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135420449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).