4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one

C14H10N4O4S — CID 3677423

IUPAC4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
SMILESO=C1SCC(=NN=Cc2ccc([N+](=O)[O-])o2)N1c1ccccc1
InChIInChI=1S/C14H10N4O4S/c19-14-17(10-4-2-1-3-5-10)12(9-23-14)16-15-8-11-6-7-13(22-11)18(20)21/h1-8H,9H2
InChIKeyUNPOYGZNPMDZEZ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.29
Rot. Bonds4

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

4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one (PubChem CID 3677423) has the molecular formula C14H10N4O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
PubChem CID3677423
Molecular FormulaC14H10N4O4S
Molecular Weight330.33 g/mol
Exact Mass330.04
IUPAC Name4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
SMILESO=C1SCC(=NN=Cc2ccc([N+](=O)[O-])o2)N1c1ccccc1
InChIInChI=1S/C14H10N4O4S/c19-14-17(10-4-2-1-3-5-10)12(9-23-14)16-15-8-11-6-7-13(22-11)18(20)21/h1-8H,9H2
InChIKeyUNPOYGZNPMDZEZ-UHFFFAOYSA-N
XLogP3.29
TPSA101.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-3,4-dihydropyrazol-5-imine
CID 2905175
(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
CID 6435289
5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1211318
1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one
CID 165340609
1,5-dimethyl-4-[(5-nitrofuran-2-yl)methylideneamino]-2-phenylpyrazol-3-one
CID 629801
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 90675437
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-benzimidazol-2-one
CID 56696596
2-[(2E)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135589038
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135800873
2-[2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135545521
5-methylidene-4-[(5-nitrofuran-2-yl)methylidene]-2-phenylpyrazolidin-3-one
CID 53452933

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one (CID 3677423) is 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one is O=C1SCC(=NN=Cc2ccc([N+](=O)[O-])o2)N1c1ccccc1.
What is the InChIKey of 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one?
The InChIKey is UNPOYGZNPMDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c19-14-17(10-4-2-1-3-5-10)12(9-23-14)16-15-8-11-6-7-13(22-11)18(20)21/h1-8H,9H2.
What are the key properties of 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one?
4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one has a molecular weight of 330.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 3677423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).