2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide

C24H17N3O3S2 — CID 108764600

About 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide

2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 108764600) has the molecular formula C24H17N3O3S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
• PubChem CID: 108764600
• Molecular Formula: C24H17N3O3S2
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.07
• IUPAC Name: 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
• SMILES: Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc(-c5cccs5)cs4)cc3C2=O)c(C)c1
• InChI: InChI=1S/C24H17N3O3S2/c1-13-5-8-19(14(2)10-13)27-22(29)16-7-6-15(11-17(16)23(27)30)21(28)26-24-25-18(12-32-24)20-4-3-9-31-20/h3-12H,1-2H3,(H,25,26,28)
• InChIKey: ABVJPGCNIQOTOC-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide?

The IUPAC name of 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 108764600) is 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide.

What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide?

The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc(-c5cccs5)cs4)cc3C2=O)c(C)c1.

What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide?

The InChIKey is ABVJPGCNIQOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S2/c1-13-5-8-19(14(2)10-13)27-22(29)16-7-6-15(11-17(16)23(27)30)21(28)26-24-25-18(12-32-24)20-4-3-9-31-20/h3-12H,1-2H3,(H,25,26,28).

What are the key properties of 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide?

2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 108764600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).