3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

C27H21N3O3S — CID 108769961

About 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108769961) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
• PubChem CID: 108769961
• Molecular Formula: C27H21N3O3S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.13
• IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
• SMILES: Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
• InChI: InChI=1S/C27H21N3O3S/c1-17-24(29-25(34-17)19-7-3-2-4-8-19)18-11-13-20(14-12-18)28-23(31)15-16-30-26(32)21-9-5-6-10-22(21)27(30)33/h2-14H,15-16H2,1H3,(H,28,31)
• InChIKey: UYQKJDOOTSUKSO-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	5.41
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 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?

The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108769961) is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?

The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.

What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?

The InChIKey is UYQKJDOOTSUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c1-17-24(29-25(34-17)19-7-3-2-4-8-19)18-11-13-20(14-12-18)28-23(31)15-16-30-26(32)21-9-5-6-10-22(21)27(30)33/h2-14H,15-16H2,1H3,(H,28,31).

What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?

3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 467.55 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108769961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).