2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol

C28H43N3OS — CID 142790717

About 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol

2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol (PubChem CID 142790717) has the molecular formula C28H43N3OS and a molecular weight of 469.74 g/mol. Its IUPAC name is 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol
• PubChem CID: 142790717
• Molecular Formula: C28H43N3OS
• Molecular Weight: 469.74 g/mol
• Exact Mass: 469.31
• IUPAC Name: 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol
• SMILES: CCC1(CC)CCC(CC)(CC)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21
• InChI: InChI=1S/C28H43N3OS/c1-5-27(6-2)13-14-28(7-3,8-4)24-19-21(9-10-23(24)27)25-20-33-26(30-25)31-16-11-22(12-17-31)29-15-18-32/h9-10,19-20,22,29,32H,5-8,11-18H2,1-4H3
• InChIKey: BBXBWIYIZIEPMA-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 48.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.74
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol?

The IUPAC name of 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol (CID 142790717) is 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol.

What is the SMILES notation for 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol?

The canonical SMILES for 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol is CCC1(CC)CCC(CC)(CC)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.

What is the InChIKey of 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol?

The InChIKey is BBXBWIYIZIEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3OS/c1-5-27(6-2)13-14-28(7-3,8-4)24-19-21(9-10-23(24)27)25-20-33-26(30-25)31-16-11-22(12-17-31)29-15-18-32/h9-10,19-20,22,29,32H,5-8,11-18H2,1-4H3.

What are the key properties of 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol?

2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol has a molecular weight of 469.74 g/mol, XLogP of 6.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 142790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).