5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C26H20ClN5OS — CID 135460874

About 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135460874) has the molecular formula C26H20ClN5OS and a molecular weight of 486.00 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135460874
• Molecular Formula: C26H20ClN5OS
• Molecular Weight: 486.00 g/mol
• Exact Mass: 485.11
• IUPAC Name: 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1NC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1Cc1ccccc1Cl
• InChI: InChI=1S/C26H20ClN5OS/c27-22-14-8-7-11-19(22)15-23-25(33)29-26(34-23)30-28-16-20-17-32(21-12-5-2-6-13-21)31-24(20)18-9-3-1-4-10-18/h1-14,16-17,23H,15H2,(H,29,30,33)
• InChIKey: GUSILQSUIPIVOY-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.00
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135460874) is 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1Cc1ccccc1Cl.

What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is GUSILQSUIPIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5OS/c27-22-14-8-7-11-19(22)15-23-25(33)29-26(34-23)30-28-16-20-17-32(21-12-5-2-6-13-21)31-24(20)18-9-3-1-4-10-18/h1-14,16-17,23H,15H2,(H,29,30,33).

What are the key properties of 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 486.00 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).