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

C11H13N3O2S — CID 135492256

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C11H13N3O2S/c1-7(2)9-10(15)13-11(17-9)14-12-6-8-4-3-5-16-8/h3-7,9H,1-2H3,(H,13,14,15)/b12-6+
InChIKeyZIOXQNNCYOZFTK-WUXMJOGZSA-N
MW251.31 g/mol
LogP1.86
Rot. Bonds3

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

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135492256) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135492256
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C11H13N3O2S/c1-7(2)9-10(15)13-11(17-9)14-12-6-8-4-3-5-16-8/h3-7,9H,1-2H3,(H,13,14,15)/b12-6+
InChIKeyZIOXQNNCYOZFTK-WUXMJOGZSA-N
XLogP1.86
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.86
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-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135492256) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/N=C/c2ccco2)NC1=O.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ZIOXQNNCYOZFTK-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(2)9-10(15)13-11(17-9)14-12-6-8-4-3-5-16-8/h3-7,9H,1-2H3,(H,13,14,15)/b12-6+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 1.86, 3 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-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135492256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).