2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide

C22H25N3O2S — CID 110313153

About 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide

2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 110313153) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
• PubChem CID: 110313153
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
• SMILES: COc1ccc(C(C(=O)NCCc2csc(-c3ccccn3)n2)C(C)C)cc1
• InChI: InChI=1S/C22H25N3O2S/c1-15(2)20(16-7-9-18(27-3)10-8-16)21(26)24-13-11-17-14-28-22(25-17)19-6-4-5-12-23-19/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,24,26)
• InChIKey: NHYOMZLJWLMQCA-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide (CID 110313153) is 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide.

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

The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide is COc1ccc(C(C(=O)NCCc2csc(-c3ccccn3)n2)C(C)C)cc1.

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

The InChIKey is NHYOMZLJWLMQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)20(16-7-9-18(27-3)10-8-16)21(26)24-13-11-17-14-28-22(25-17)19-6-4-5-12-23-19/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,24,26).

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

2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 395.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 110313153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).