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

C17H16N4O3S — CID 135426350

IUPAC2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)o1
InChIInChI=1S/C17H16N4O3S/c1-11-7-8-13(24-11)10-18-21-17-20-16(23)14(25-17)9-15(22)19-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H,19,22)(H,20,21,23)/b18-10+
InChIKeyJJSQBDTWBFXSGZ-VCHYOVAHSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds5

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

2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135426350) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135426350
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)o1
InChIInChI=1S/C17H16N4O3S/c1-11-7-8-13(24-11)10-18-21-17-20-16(23)14(25-17)9-15(22)19-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H,19,22)(H,20,21,23)/b18-10+
InChIKeyJJSQBDTWBFXSGZ-VCHYOVAHSA-N
XLogP2.54
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135426350) is 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)o1.
What is the InChIKey of 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is JJSQBDTWBFXSGZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-7-8-13(24-11)10-18-21-17-20-16(23)14(25-17)9-15(22)19-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H,19,22)(H,20,21,23)/b18-10+.
What are the key properties of 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 356.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135426350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).