2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

C24H26N2O2S — CID 19227652

About 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19227652) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 19227652
• Molecular Formula: C24H26N2O2S
• Molecular Weight: 406.55 g/mol
• Exact Mass: 406.17
• IUPAC Name: 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: CCCc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1
• InChI: InChI=1S/C24H26N2O2S/c1-2-5-17-8-12-21(13-9-17)28-15-23(27)26-24-25-22(16-29-24)20-11-10-18-6-3-4-7-19(18)14-20/h8-14,16H,2-7,15H2,1H3,(H,25,26,27)
• InChIKey: XKXGGZQSZVPVHH-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.55
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 19227652) is 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1.

What is the InChIKey of 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is XKXGGZQSZVPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-2-5-17-8-12-21(13-9-17)28-15-23(27)26-24-25-22(16-29-24)20-11-10-18-6-3-4-7-19(18)14-20/h8-14,16H,2-7,15H2,1H3,(H,25,26,27).

What are the key properties of 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 406.55 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19227652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).