N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C28H23N3O3S — CID 108770069

About N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 108770069) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
• PubChem CID: 108770069
• Molecular Formula: C28H23N3O3S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
• SMILES: Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cc2)cs1
• InChI: InChI=1S/C28H23N3O3S/c1-16(2)31-27(33)22-13-10-19(14-23(22)28(31)34)25(32)29-20-11-8-18(9-12-20)24-15-35-26(30-24)21-7-5-4-6-17(21)3/h4-16H,1-3H3,(H,29,32)
• InChIKey: OOECGLQEBWGIDY-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?

The IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 108770069) is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

What is the SMILES notation for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?

The canonical SMILES for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cc2)cs1.

What is the InChIKey of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?

The InChIKey is OOECGLQEBWGIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-16(2)31-27(33)22-13-10-19(14-23(22)28(31)34)25(32)29-20-11-8-18(9-12-20)24-15-35-26(30-24)21-7-5-4-6-17(21)3/h4-16H,1-3H3,(H,29,32).

What are the key properties of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 108770069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).