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

C29H23N3O3S — CID 16628326

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16628326) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628326
• Molecular Formula: C29H23N3O3S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.15
• IUPAC Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: COc1ccccc1/C=C1\S/C(=N\N=C\c2ccc(-c3ccccc3)cc2)N(Cc2ccco2)C1=O
• InChI: InChI=1S/C29H23N3O3S/c1-34-26-12-6-5-10-24(26)18-27-28(33)32(20-25-11-7-17-35-25)29(36-27)31-30-19-21-13-15-23(16-14-21)22-8-3-2-4-9-22/h2-19H,20H2,1H3/b27-18-,30-19+,31-29-
• InChIKey: VBXPZUISRCZZDU-QUYHKLJJSA-N
• XLogP: 6.46
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 16628326) is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N\N=C\c2ccc(-c3ccccc3)cc2)N(Cc2ccco2)C1=O.

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

The InChIKey is VBXPZUISRCZZDU-QUYHKLJJSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-34-26-12-6-5-10-24(26)18-27-28(33)32(20-25-11-7-17-35-25)29(36-27)31-30-19-21-13-15-23(16-14-21)22-8-3-2-4-9-22/h2-19H,20H2,1H3/b27-18-,30-19+,31-29-.

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 493.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).