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

C16H12N2O2S — CID 135452040

IUPAC5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)SC1=Cc1ccc(O)cc1
InChIInChI=1S/C16H12N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18-16(21-14)17-12-4-2-1-3-5-12/h1-10,19H,(H,17,18,20)
InChIKeyILHJRQMPLLABFS-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.28
Rot. Bonds2

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

5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135452040) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135452040
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)SC1=Cc1ccc(O)cc1
InChIInChI=1S/C16H12N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18-16(21-14)17-12-4-2-1-3-5-12/h1-10,19H,(H,17,18,20)
InChIKeyILHJRQMPLLABFS-UHFFFAOYSA-N
XLogP3.28
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
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

4-[(Z)-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135593739
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
2-(4-hydroxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135447185
2-(4-hydroxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135486601
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
(5Z)-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135921879

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135452040) is 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)SC1=Cc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is ILHJRQMPLLABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18-16(21-14)17-12-4-2-1-3-5-12/h1-10,19H,(H,17,18,20).
What are the key properties of 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 296.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135452040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).