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

C30H23Cl2N3O5S — CID 16628147

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

(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16628147) has the molecular formula C30H23Cl2N3O5S and a molecular weight of 608.50 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628147
• Molecular Formula: C30H23Cl2N3O5S
• Molecular Weight: 608.50 g/mol
• Exact Mass: 607.07
• IUPAC Name: (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C30H23Cl2N3O5S/c1-38-27-13-19(8-11-26(27)40-18-21-9-10-22(31)15-24(21)32)16-33-34-30-35(17-23-6-4-12-39-23)29(37)28(41-30)14-20-5-2-3-7-25(20)36/h2-16,36H,17-18H2,1H3/b28-14-,33-16+,34-30-
• InChIKey: UWQDATTUXRBXQW-QUQZPSOTSA-N
• XLogP: 7.39
• TPSA: 96.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.50
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16628147) is (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.

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

The InChIKey is UWQDATTUXRBXQW-QUQZPSOTSA-N. The full InChI is InChI=1S/C30H23Cl2N3O5S/c1-38-27-13-19(8-11-26(27)40-18-21-9-10-22(31)15-24(21)32)16-33-34-30-35(17-23-6-4-12-39-23)29(37)28(41-30)14-20-5-2-3-7-25(20)36/h2-16,36H,17-18H2,1H3/b28-14-,33-16+,34-30-.

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

(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 608.50 g/mol, XLogP of 7.39, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).