2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C8H6IN3O2S — CID 137192592

IUPAC2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2ccc(I)o2)N1
InChIInChI=1S/C8H6IN3O2S/c9-6-2-1-5(14-6)3-10-12-8-11-7(13)4-15-8/h1-3H,4H2,(H,11,12,13)/b10-3+
InChIKeyRJLCJNOYFIALPS-XCVCLJGOSA-N
MW335.13 g/mol
LogP1.44
Rot. Bonds2

About 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137192592) has the molecular formula C8H6IN3O2S and a molecular weight of 335.13 g/mol. Its IUPAC name is 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137192592
Molecular FormulaC8H6IN3O2S
Molecular Weight335.13 g/mol
Exact Mass334.92
IUPAC Name2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2ccc(I)o2)N1
InChIInChI=1S/C8H6IN3O2S/c9-6-2-1-5(14-6)3-10-12-8-11-7(13)4-15-8/h1-3H,4H2,(H,11,12,13)/b10-3+
InChIKeyRJLCJNOYFIALPS-XCVCLJGOSA-N
XLogP1.44
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137192592) is 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=N/N=C/c2ccc(I)o2)N1.
What is the InChIKey of 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RJLCJNOYFIALPS-XCVCLJGOSA-N. The full InChI is InChI=1S/C8H6IN3O2S/c9-6-2-1-5(14-6)3-10-12-8-11-7(13)4-15-8/h1-3H,4H2,(H,11,12,13)/b10-3+.
What are the key properties of 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 335.13 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137192592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).