(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one

C29H23N3O2S — CID 16628372

About (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16628372) has the molecular formula C29H23N3O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628372
• Molecular Formula: C29H23N3O2S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.15
• IUPAC Name: (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccccc1/C=N/N=C1\S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccco1
• InChI: InChI=1S/C29H23N3O2S/c1-21-8-5-6-11-25(21)19-30-31-29-32(20-26-12-7-17-34-26)28(33)27(35-29)18-22-13-15-24(16-14-22)23-9-3-2-4-10-23/h2-19H,20H2,1H3/b27-18-,30-19+,31-29-
• InChIKey: MTNFRJHHKLTILE-QUYHKLJJSA-N
• XLogP: 6.76
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16628372) is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/C=N/N=C1\S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccco1.

What is the InChIKey of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is MTNFRJHHKLTILE-QUYHKLJJSA-N. The full InChI is InChI=1S/C29H23N3O2S/c1-21-8-5-6-11-25(21)19-30-31-29-32(20-26-12-7-17-34-26)28(33)27(35-29)18-22-13-15-24(16-14-22)23-9-3-2-4-10-23/h2-19H,20H2,1H3/b27-18-,30-19+,31-29-.

What are the key properties of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 477.59 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).