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

C9H9N3O2S — CID 135472705

IUPAC(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2/NC(=O)CS2)o1
InChIInChI=1S/C9H9N3O2S/c1-6-2-3-7(14-6)4-10-12-9-11-8(13)5-15-9/h2-4H,5H2,1H3,(H,11,12,13)/b10-4+
InChIKeyLWOCSDWLGRRMNG-ONNFQVAWSA-N
MW223.26 g/mol
LogP1.14
Rot. Bonds2

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

(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135472705) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135472705
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2/NC(=O)CS2)o1
InChIInChI=1S/C9H9N3O2S/c1-6-2-3-7(14-6)4-10-12-9-11-8(13)5-15-9/h2-4H,5H2,1H3,(H,11,12,13)/b10-4+
InChIKeyLWOCSDWLGRRMNG-ONNFQVAWSA-N
XLogP1.14
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.14
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 (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135472705) is (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(/C=N/N=C2/NC(=O)CS2)o1.
What is the InChIKey of (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LWOCSDWLGRRMNG-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-2-3-7(14-6)4-10-12-9-11-8(13)5-15-9/h2-4H,5H2,1H3,(H,11,12,13)/b10-4+.
What are the key properties of (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 223.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135472705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).