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

C12H12FN3O3S — CID 168574006

IUPAC2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(F)c(C=NN=C2NC(=O)CS2)cc1OC
InChIInChI=1S/C12H12FN3O3S/c1-18-9-3-7(8(13)4-10(9)19-2)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)
InChIKeyVGBICHKFLBUYPL-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.40
Rot. Bonds4

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

2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574006) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574006
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(F)c(C=NN=C2NC(=O)CS2)cc1OC
InChIInChI=1S/C12H12FN3O3S/c1-18-9-3-7(8(13)4-10(9)19-2)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)
InChIKeyVGBICHKFLBUYPL-UHFFFAOYSA-N
XLogP1.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574006) is 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(F)c(C=NN=C2NC(=O)CS2)cc1OC.
What is the InChIKey of 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VGBICHKFLBUYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-18-9-3-7(8(13)4-10(9)19-2)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).