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

C24H21N3O3S — CID 16628370

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16628370) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628370
• Molecular Formula: C24H21N3O3S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.13
• IUPAC Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: COc1ccccc1/C=C1\S/C(=N\N=C\c2ccccc2C)N(Cc2ccco2)C1=O
• InChI: InChI=1S/C24H21N3O3S/c1-17-8-3-4-10-19(17)15-25-26-24-27(16-20-11-7-13-30-20)23(28)22(31-24)14-18-9-5-6-12-21(18)29-2/h3-15H,16H2,1-2H3/b22-14-,25-15+,26-24-
• InChIKey: VAGGZXULUACBER-VNOXVYOPSA-N
• XLogP: 5.10
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.10
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)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 16628370) is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N\N=C\c2ccccc2C)N(Cc2ccco2)C1=O.

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

The InChIKey is VAGGZXULUACBER-VNOXVYOPSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17-8-3-4-10-19(17)15-25-26-24-27(16-20-11-7-13-30-20)23(28)22(31-24)14-18-9-5-6-12-21(18)29-2/h3-15H,16H2,1-2H3/b22-14-,25-15+,26-24-.

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 431.52 g/mol, XLogP of 5.10, 6 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)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).