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

C16H12N2O2S — CID 135435823

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(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)/b14-10-
InChIKeyILHJRQMPLLABFS-UVTDQMKNSA-N
MW296.35 g/mol
LogP3.28
Rot. Bonds2

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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135435823) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135435823
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(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)/b14-10-
InChIKeyILHJRQMPLLABFS-UVTDQMKNSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135435823) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is ILHJRQMPLLABFS-UVTDQMKNSA-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)/b14-10-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-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 (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135435823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).