(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one

C24H15Cl2N3O2S — CID 135448763

About (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one (PubChem CID 135448763) has the molecular formula C24H15Cl2N3O2S and a molecular weight of 480.38 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135448763
• Molecular Formula: C24H15Cl2N3O2S
• Molecular Weight: 480.38 g/mol
• Exact Mass: 479.03
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21
• InChI: InChI=1S/C24H15Cl2N3O2S/c25-15-9-11-16(12-10-15)27-24-28-22(30)21(32-24)20-17-6-2-4-8-19(17)29(23(20)31)13-14-5-1-3-7-18(14)26/h1-12H,13H2,(H,27,28,30)/b21-20-
• InChIKey: JSEBXGQGQGXDLZ-MRCUWXFGSA-N
• XLogP: 5.80
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.38
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one (CID 135448763) is (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one?

The InChIKey is JSEBXGQGQGXDLZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H15Cl2N3O2S/c25-15-9-11-16(12-10-15)27-24-28-22(30)21(32-24)20-17-6-2-4-8-19(17)29(23(20)31)13-14-5-1-3-7-18(14)26/h1-12H,13H2,(H,27,28,30)/b21-20-.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one has a molecular weight of 480.38 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135448763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).