(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one

C10H11N3O2S — CID 135517209

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C10H11N3O2S/c1-10(2)8(14)12-9(16-10)13-11-6-7-4-3-5-15-7/h3-6H,1-2H3,(H,12,13,14)/b11-6+
InChIKeyIJSBIFYRYORHMZ-IZZDOVSWSA-N
MW237.28 g/mol
LogP1.61
Rot. Bonds2

About (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 135517209) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID135517209
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C10H11N3O2S/c1-10(2)8(14)12-9(16-10)13-11-6-7-4-3-5-15-7/h3-6H,1-2H3,(H,12,13,14)/b11-6+
InChIKeyIJSBIFYRYORHMZ-IZZDOVSWSA-N
XLogP1.61
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.61
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 (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one (CID 135517209) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one is CC1(C)S/C(=N/N=C/c2ccco2)NC1=O.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is IJSBIFYRYORHMZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-10(2)8(14)12-9(16-10)13-11-6-7-4-3-5-15-7/h3-6H,1-2H3,(H,12,13,14)/b11-6+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 237.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135517209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).