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

C10H9N3O2S — CID 135419502

IUPAC(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2O)N1
InChIInChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-13-10-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,13,15)/b11-5+
InChIKeyQYXYANADFPLRFX-VZUCSPMQSA-N
MW235.27 g/mol
LogP0.95
Rot. Bonds2

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

(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135419502) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135419502
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2O)N1
InChIInChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-13-10-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,13,15)/b11-5+
InChIKeyQYXYANADFPLRFX-VZUCSPMQSA-N
XLogP0.95
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-((E)-(5-bromo-2-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135488525
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856001
o-Hydroxybenzylideneaminorhodanine
CID 97410
(2Z)-5-benzyl-2-[(2E)-(4-hydroxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135645326
Rhodanine, 3-salicylideneamino-
CID 135473713
2-[(E)-2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazino]-1,3-thiazol-4(5H)-one
CID 137192574
2-(2-((E)-2-((E)-(2-hydroxybenzylidene)hydrazono)-4-oxothiazolidin-5-yl)acetamido)acetic acid
CID 135541118
(2E)-2-[(E)-(5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066070
(2E)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066071
(E)-2-((E)-(4-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135886854
2-{2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl}-4,5-dihydro-1,3-thiazol-4-one
CID 135431189
{(2E)-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 135648557

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135419502) is (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccccc2O)N1.
What is the InChIKey of (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QYXYANADFPLRFX-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-4-2-1-3-7(8)5-11-13-10-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,13,15)/b11-5+.
What are the key properties of (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 235.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135419502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).