2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H12FN3O2S — CID 168574287

IUPAC2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C12H12FN3O2S/c1-2-18-10-4-8(3-9(13)5-10)6-14-16-12-15-11(17)7-19-12/h3-6H,2,7H2,1H3,(H,15,16,17)
InChIKeyYOCYFHZSRKAWIS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds4

About 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574287) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574287
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C12H12FN3O2S/c1-2-18-10-4-8(3-9(13)5-10)6-14-16-12-15-11(17)7-19-12/h3-6H,2,7H2,1H3,(H,15,16,17)
InChIKeyYOCYFHZSRKAWIS-UHFFFAOYSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574287) is 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YOCYFHZSRKAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-2-18-10-4-8(3-9(13)5-10)6-14-16-12-15-11(17)7-19-12/h3-6H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 281.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).