(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

C16H13N3O2S — CID 5336546

IUPAC(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2S/c20-14-8-6-13(7-9-14)19-15(21)11-22-16(19)18-17-10-12-4-2-1-3-5-12/h1-10,20H,11H2/b17-10+,18-16+
InChIKeyNUQYOLPTJCLNEQ-NSDISPIVSA-N
MW311.37 g/mol
LogP2.86
Rot. Bonds3

About (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 5336546) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID5336546
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2S/c20-14-8-6-13(7-9-14)19-15(21)11-22-16(19)18-17-10-12-4-2-1-3-5-12/h1-10,20H,11H2/b17-10+,18-16+
InChIKeyNUQYOLPTJCLNEQ-NSDISPIVSA-N
XLogP2.86
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-Hydroxybenzylidene)hydrazono]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135433298
2-{(2z,5s)-4-Hydroxy-2-[(2e)-(2-Hydroxybenzylidene)hydrazinylidene]-2,5-Dihydro-1,3-Thiazol-5-Yl}-N-[3-(Trifluoromethyl)phenyl]acetamide
CID 136253877
{3-(4-Hydroxyphenyl)-2-[(4-nitrobenzylidene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 5348572
(Z,Z)-5-(4-Hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236807
2-hydroxybenzaldehyde [3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135501775
2-((E)-2-((E)-(4-(dimethylamino)benzylidene)hydrazono)-3-(4-hydroxyphenyl)-4-oxothiazolidin-5-yl)acetic acid
CID 5348494
4-Thiazolidinone, 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)imino]-
CID 657890
{3-(4-Hydroxyphenyl)-2-[(4-methoxybenzylidene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 5729076
(2E)-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 135438890
2-[(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135820626
3-(3-Fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 2730418
2-(3-Fluorophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4231312

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 5336546) is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccccc2)N1c1ccc(O)cc1.
What is the InChIKey of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NUQYOLPTJCLNEQ-NSDISPIVSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-14-8-6-13(7-9-14)19-15(21)11-22-16(19)18-17-10-12-4-2-1-3-5-12/h1-10,20H,11H2/b17-10+,18-16+.
What are the key properties of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?
(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 311.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5336546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).