(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C24H21N3O2S — CID 7331928

About (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 7331928) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• PubChem CID: 7331928
• Molecular Formula: C24H21N3O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.14
• IUPAC Name: (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1
• InChI: InChI=1S/C24H21N3O2S/c1-2-15-27-23(28)22(16-18-9-5-3-6-10-18)30-24(27)26-25-17-20-13-14-21(29-20)19-11-7-4-8-12-19/h2-14,17,22H,1,15-16H2/b25-17+,26-24+/t22-/m0/s1
• InChIKey: LMJBAFBJSQSOCM-VDSIAQTOSA-N
• XLogP: 5.01
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 7331928) is (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1.

What is the InChIKey of (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The InChIKey is LMJBAFBJSQSOCM-VDSIAQTOSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-2-15-27-23(28)22(16-18-9-5-3-6-10-18)30-24(27)26-25-17-20-13-14-21(29-20)19-11-7-4-8-12-19/h2-14,17,22H,1,15-16H2/b25-17+,26-24+/t22-/m0/s1.

What are the key properties of (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 415.52 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 7331928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).