2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole

C32H50N2S — CID 143916708

About 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole

2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (PubChem CID 143916708) has the molecular formula C32H50N2S and a molecular weight of 494.83 g/mol. Its IUPAC name is 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
• PubChem CID: 143916708
• Molecular Formula: C32H50N2S
• Molecular Weight: 494.83 g/mol
• Exact Mass: 494.37
• IUPAC Name: 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
• SMILES: CCCCC(CC)CCCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
• InChI: InChI=1S/C32H50N2S/c1-7-9-11-24(8-2)12-10-19-34-20-15-25(16-21-34)30-33-29(23-35-30)26-13-14-27-28(22-26)32(5,6)18-17-31(27,3)4/h13-14,22-25H,7-12,15-21H2,1-6H3
• InChIKey: ZWRNLORHOXHECJ-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 16.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.83
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?

The IUPAC name of 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (CID 143916708) is 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.

What is the SMILES notation for 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?

The canonical SMILES for 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is CCCCC(CC)CCCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.

What is the InChIKey of 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?

The InChIKey is ZWRNLORHOXHECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2S/c1-7-9-11-24(8-2)12-10-19-34-20-15-25(16-21-34)30-33-29(23-35-30)26-13-14-27-28(22-26)32(5,6)18-17-31(27,3)4/h13-14,22-25H,7-12,15-21H2,1-6H3.

What are the key properties of 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?

2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole has a molecular weight of 494.83 g/mol, XLogP of 9.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 143916708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).