(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H11N3O3S — CID 135470754

IUPAC(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=N/N=C2/NC(=O)CS2)c1O
InChIInChI=1S/C11H11N3O3S/c1-17-8-4-2-3-7(10(8)16)5-12-14-11-13-9(15)6-18-11/h2-5,16H,6H2,1H3,(H,13,14,15)/b12-5+
InChIKeyMLPPPRMCFOVWMS-LFYBBSHMSA-N
MW265.29 g/mol
LogP0.95
Rot. Bonds3

About (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135470754) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135470754
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=N/N=C2/NC(=O)CS2)c1O
InChIInChI=1S/C11H11N3O3S/c1-17-8-4-2-3-7(10(8)16)5-12-14-11-13-9(15)6-18-11/h2-5,16H,6H2,1H3,(H,13,14,15)/b12-5+
InChIKeyMLPPPRMCFOVWMS-LFYBBSHMSA-N
XLogP0.95
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135470754) is (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cccc(/C=N/N=C2/NC(=O)CS2)c1O.
What is the InChIKey of (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MLPPPRMCFOVWMS-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-17-8-4-2-3-7(10(8)16)5-12-14-11-13-9(15)6-18-11/h2-5,16H,6H2,1H3,(H,13,14,15)/b12-5+.
What are the key properties of (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 265.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135470754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).