1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

C19H22F3N3OS — CID 166241022

About 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 166241022) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
• PubChem CID: 166241022
• Molecular Formula: C19H22F3N3OS
• Molecular Weight: 397.47 g/mol
• Exact Mass: 397.14
• IUPAC Name: 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
• SMILES: NCCC1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1
• InChI: InChI=1S/C19H22F3N3OS/c20-19(21,22)15-3-1-14(2-4-15)18-24-16(12-27-18)11-17(26)25-9-6-13(5-8-23)7-10-25/h1-4,12-13H,5-11,23H2
• InChIKey: ICPSBGDPUIMHRT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.47
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?

The IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (CID 166241022) is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

What is the SMILES notation for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?

The canonical SMILES for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is NCCC1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1.

What is the InChIKey of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?

The InChIKey is ICPSBGDPUIMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c20-19(21,22)15-3-1-14(2-4-15)18-24-16(12-27-18)11-17(26)25-9-6-13(5-8-23)7-10-25/h1-4,12-13H,5-11,23H2.

What are the key properties of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?

1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 397.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 166241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).