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

C16H12FN3O2S — CID 2730418

IUPAC3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2O)N1c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-3-6-13(8-12)20-15(22)10-23-16(20)19-18-9-11-4-1-2-7-14(11)21/h1-9,21H,10H2
InChIKeyZIOYKMWSNZQDOK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.00
Rot. Bonds3

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

3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 2730418) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID2730418
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2O)N1c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2S/c17-12-5-3-6-13(8-12)20-15(22)10-23-16(20)19-18-9-11-4-1-2-7-14(11)21/h1-9,21H,10H2
InChIKeyZIOYKMWSNZQDOK-UHFFFAOYSA-N
XLogP3.00
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 2730418) is 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccccc2O)N1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZIOYKMWSNZQDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-12-5-3-6-13(8-12)20-15(22)10-23-16(20)19-18-9-11-4-1-2-7-14(11)21/h1-9,21H,10H2.
What are the key properties of 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2730418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).