2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one

C26H19Cl2N3OS — CID 135514141

About 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one

2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135514141) has the molecular formula C26H19Cl2N3OS and a molecular weight of 492.43 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135514141
• Molecular Formula: C26H19Cl2N3OS
• Molecular Weight: 492.43 g/mol
• Exact Mass: 491.06
• IUPAC Name: 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1cc(C=C2S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc2ccccc2c1
• InChI: InChI=1S/C26H19Cl2N3OS/c1-15-12-19(16(2)31(15)20-11-10-17-6-3-4-7-18(17)13-20)14-23-25(32)30-26(33-23)29-22-9-5-8-21(27)24(22)28/h3-14H,1-2H3,(H,29,30,32)
• InChIKey: GTUXWTZGWSIGSK-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 46.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.43
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one (CID 135514141) is 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one is Cc1cc(C=C2S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc2ccccc2c1.

What is the InChIKey of 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is GTUXWTZGWSIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3OS/c1-15-12-19(16(2)31(15)20-11-10-17-6-3-4-7-18(17)13-20)14-23-25(32)30-26(33-23)29-22-9-5-8-21(27)24(22)28/h3-14H,1-2H3,(H,29,30,32).

What are the key properties of 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one?

2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 492.43 g/mol, XLogP of 7.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135514141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).