(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C31H25N3O3S — CID 19246869

About (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 19246869) has the molecular formula C31H25N3O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 19246869
• Molecular Formula: C31H25N3O3S
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.16
• IUPAC Name: (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CC(/C=N\N=C1\S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1
• InChI: InChI=1S/C31H25N3O3S/c1-23(18-24-10-4-2-5-11-24)21-32-33-31-34(22-28-16-9-17-36-28)30(35)29(38-31)20-25-12-8-15-27(19-25)37-26-13-6-3-7-14-26/h2-21H,22H2,1H3/b23-18+,29-20-,32-21-,33-31+
• InChIKey: NBRYQJMFOLVFQK-ZXNJBDGISA-N
• XLogP: 7.63
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.63
LogP ≤ 5	7.63
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 (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 19246869) is (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one is CC(/C=N\N=C1\S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1.

What is the InChIKey of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is NBRYQJMFOLVFQK-ZXNJBDGISA-N. The full InChI is InChI=1S/C31H25N3O3S/c1-23(18-24-10-4-2-5-11-24)21-32-33-31-34(22-28-16-9-17-36-28)30(35)29(38-31)20-25-12-8-15-27(19-25)37-26-13-6-3-7-14-26/h2-21H,22H2,1H3/b23-18+,29-20-,32-21-,33-31+.

What are the key properties of (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 519.63 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).