2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H14FN3O2S — CID 168574290

IUPAC2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C13H14FN3O2S/c1-2-3-19-11-5-9(4-10(14)6-11)7-15-17-13-16-12(18)8-20-13/h4-7H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyLVSUZFJOESEFLP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574290) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574290
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C13H14FN3O2S/c1-2-3-19-11-5-9(4-10(14)6-11)7-15-17-13-16-12(18)8-20-13/h4-7H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyLVSUZFJOESEFLP-UHFFFAOYSA-N
XLogP2.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.17
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-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574290) is 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LVSUZFJOESEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-2-3-19-11-5-9(4-10(14)6-11)7-15-17-13-16-12(18)8-20-13/h4-7H,2-3,8H2,1H3,(H,16,17,18).
What are the key properties of 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).