4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

C23H24F3N3O2S — CID 71471796

About 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71471796) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
• PubChem CID: 71471796
• Molecular Formula: C23H24F3N3O2S
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.15
• IUPAC Name: 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
• SMILES: COc1ccc(F)cc1Nc1nc(-c2ccc(OCCN3CCC(F)(F)CC3)cc2)cs1
• InChI: InChI=1S/C23H24F3N3O2S/c1-30-21-7-4-17(24)14-19(21)27-22-28-20(15-32-22)16-2-5-18(6-3-16)31-13-12-29-10-8-23(25,26)9-11-29/h2-7,14-15H,8-13H2,1H3,(H,27,28)
• InChIKey: ZWEFYNQOWYOQOZ-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?

The IUPAC name of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine (CID 71471796) is 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(F)cc1Nc1nc(-c2ccc(OCCN3CCC(F)(F)CC3)cc2)cs1.

What is the InChIKey of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?

The InChIKey is ZWEFYNQOWYOQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-30-21-7-4-17(24)14-19(21)27-22-28-20(15-32-22)16-2-5-18(6-3-16)31-13-12-29-10-8-23(25,26)9-11-29/h2-7,14-15H,8-13H2,1H3,(H,27,28).

What are the key properties of 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?

4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 463.53 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71471796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).