[1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol

C27H29N3OS — CID 71813506

About [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol

[1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol (PubChem CID 71813506) has the molecular formula C27H29N3OS and a molecular weight of 443.62 g/mol. Its IUPAC name is [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol
• PubChem CID: 71813506
• Molecular Formula: C27H29N3OS
• Molecular Weight: 443.62 g/mol
• Exact Mass: 443.20
• IUPAC Name: [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol
• SMILES: OCC1CCCCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
• InChI: InChI=1S/C27H29N3OS/c31-18-25-7-3-4-15-30(25)16-14-20-8-12-24(13-9-20)28-27-29-26(19-32-27)23-11-10-21-5-1-2-6-22(21)17-23/h1-2,5-6,8-13,17,19,25,31H,3-4,7,14-16,18H2,(H,28,29)
• InChIKey: CPYIRTLNSVPIRY-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 48.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.62
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol?

The IUPAC name of [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol (CID 71813506) is [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol.

What is the SMILES notation for [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol?

The canonical SMILES for [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.

What is the InChIKey of [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol?

The InChIKey is CPYIRTLNSVPIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OS/c31-18-25-7-3-4-15-30(25)16-14-20-8-12-24(13-9-20)28-27-29-26(19-32-27)23-11-10-21-5-1-2-6-22(21)17-23/h1-2,5-6,8-13,17,19,25,31H,3-4,7,14-16,18H2,(H,28,29).

What are the key properties of [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol?

[1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol has a molecular weight of 443.62 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 71813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).