2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide

C24H18N4O2S — CID 121024652

About 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide (PubChem CID 121024652) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide
• PubChem CID: 121024652
• Molecular Formula: C24H18N4O2S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.12
• IUPAC Name: 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide
• SMILES: Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12
• InChI: InChI=1S/C24H18N4O2S/c1-13-12-15(23-28-19-8-5-11-25-24(19)31-23)9-10-17(13)27-22(30)21(29)20-14(2)26-18-7-4-3-6-16(18)20/h3-12,26H,1-2H3,(H,27,30)
• InChIKey: IPDHURYZEAKTDF-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide?

The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide (CID 121024652) is 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide.

What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide?

The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide is Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12.

What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide?

The InChIKey is IPDHURYZEAKTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-13-12-15(23-28-19-8-5-11-25-24(19)31-23)9-10-17(13)27-22(30)21(29)20-14(2)26-18-7-4-3-6-16(18)20/h3-12,26H,1-2H3,(H,27,30).

What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide?

2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide has a molecular weight of 426.50 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 121024652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).