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

C25H28N2O2S — CID 19227816

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

2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19227816) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 19227816
• Molecular Formula: C25H28N2O2S
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.19
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1
• InChI: InChI=1S/C25H28N2O2S/c1-25(2,3)20-10-12-21(13-11-20)29-15-23(28)27-24-26-22(16-30-24)19-9-8-17-6-4-5-7-18(17)14-19/h8-14,16H,4-7,15H2,1-3H3,(H,26,27,28)
• InChIKey: GPOAMBGNEQNTNL-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 19227816) is 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1.

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

The InChIKey is GPOAMBGNEQNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-25(2,3)20-10-12-21(13-11-20)29-15-23(28)27-24-26-22(16-30-24)19-9-8-17-6-4-5-7-18(17)14-19/h8-14,16H,4-7,15H2,1-3H3,(H,26,27,28).

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

2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.58 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19227816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).