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

C27H24N4O2S — CID 55388644

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

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55388644) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 55388644
• Molecular Formula: C27H24N4O2S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.16
• IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
• SMILES: COc1ccc(C(CNC(=O)Cc2csc(-c3cccnc3)n2)c2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C27H24N4O2S/c1-33-21-10-8-18(9-11-21)23(24-16-29-25-7-3-2-6-22(24)25)15-30-26(32)13-20-17-34-27(31-20)19-5-4-12-28-14-19/h2-12,14,16-17,23,29H,13,15H2,1H3,(H,30,32)
• InChIKey: WEVOVKZPCNFBSX-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55388644) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

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

The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(C(CNC(=O)Cc2csc(-c3cccnc3)n2)c2c[nH]c3ccccc23)cc1.

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

The InChIKey is WEVOVKZPCNFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-33-21-10-8-18(9-11-21)23(24-16-29-25-7-3-2-6-22(24)25)15-30-26(32)13-20-17-34-27(31-20)19-5-4-12-28-14-19/h2-12,14,16-17,23,29H,13,15H2,1H3,(H,30,32).

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

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55388644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).