[5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C24H21ClF8N4O4S — CID 121303649

About [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 121303649) has the molecular formula C24H21ClF8N4O4S and a molecular weight of 648.96 g/mol. Its IUPAC name is [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
• PubChem CID: 121303649
• Molecular Formula: C24H21ClF8N4O4S
• Molecular Weight: 648.96 g/mol
• Exact Mass: 648.08
• IUPAC Name: [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
• SMILES: CC(C)(O)c1nnc(-c2nc(C(=O)N3CCC(F)(F)CC3)c(-c3ccc(CC(O)(C(F)(F)F)C(F)(F)F)c(Cl)c3)s2)o1
• InChI: InChI=1S/C24H21ClF8N4O4S/c1-20(2,39)19-36-35-16(41-19)17-34-14(18(38)37-7-5-21(26,27)6-8-37)15(42-17)11-3-4-12(13(25)9-11)10-22(40,23(28,29)30)24(31,32)33/h3-4,9,39-40H,5-8,10H2,1-2H3
• InChIKey: BYWJYGWFWIFPTR-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 112.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.96
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?

The IUPAC name of [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 121303649) is [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

What is the SMILES notation for [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?

The canonical SMILES for [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is CC(C)(O)c1nnc(-c2nc(C(=O)N3CCC(F)(F)CC3)c(-c3ccc(CC(O)(C(F)(F)F)C(F)(F)F)c(Cl)c3)s2)o1.

What is the InChIKey of [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?

The InChIKey is BYWJYGWFWIFPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF8N4O4S/c1-20(2,39)19-36-35-16(41-19)17-34-14(18(38)37-7-5-21(26,27)6-8-37)15(42-17)11-3-4-12(13(25)9-11)10-22(40,23(28,29)30)24(31,32)33/h3-4,9,39-40H,5-8,10H2,1-2H3.

What are the key properties of [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?

[5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 648.96 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 121303649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).