2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C22H21N3OS — CID 8963597

About 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8963597) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 8963597
• Molecular Formula: C22H21N3OS
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.14
• IUPAC Name: 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
• SMILES: CCc1cccc2c(-c3csc(CC(=O)Nc4ccccc4C)n3)c[nH]c12
• InChI: InChI=1S/C22H21N3OS/c1-3-15-8-6-9-16-17(12-23-22(15)16)19-13-27-21(25-19)11-20(26)24-18-10-5-4-7-14(18)2/h4-10,12-13,23H,3,11H2,1-2H3,(H,24,26)
• InChIKey: NBLCQSMMSMZTOD-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 8963597) is 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is CCc1cccc2c(-c3csc(CC(=O)Nc4ccccc4C)n3)c[nH]c12.

What is the InChIKey of 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is NBLCQSMMSMZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-3-15-8-6-9-16-17(12-23-22(15)16)19-13-27-21(25-19)11-20(26)24-18-10-5-4-7-14(18)2/h4-10,12-13,23H,3,11H2,1-2H3,(H,24,26).

What are the key properties of 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?

2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 375.50 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).