(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

C16H19F3N4O2S — CID 122643893

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 122643893) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 122643893
• Molecular Formula: C16H19F3N4O2S
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.12
• IUPAC Name: (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cnc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)s1
• InChI: InChI=1S/C16H19F3N4O2S/c1-10-9-20-14(26-10)23-12(3-6-21-23)11-4-7-22(8-5-11)13(24)15(2,25)16(17,18)19/h3,6,9,11,25H,4-5,7-8H2,1-2H3/t15-/m1/s1
• InChIKey: CPBYNVKYICBQMU-OAHLLOKOSA-N
• XLogP: 2.66
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 122643893) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is Cc1cnc(-n2nccc2C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)s1.

What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The InChIKey is CPBYNVKYICBQMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-10-9-20-14(26-10)23-12(3-6-21-23)11-4-7-22(8-5-11)13(24)15(2,25)16(17,18)19/h3,6,9,11,25H,4-5,7-8H2,1-2H3/t15-/m1/s1.

What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 388.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(5-methyl-1,3-thiazol-2-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 122643893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).