2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol

C25H24F10N4O2S — CID 121311833

About 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol

2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol (PubChem CID 121311833) has the molecular formula C25H24F10N4O2S and a molecular weight of 634.54 g/mol. Its IUPAC name is 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol
• PubChem CID: 121311833
• Molecular Formula: C25H24F10N4O2S
• Molecular Weight: 634.54 g/mol
• Exact Mass: 634.15
• IUPAC Name: 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol
• SMILES: C[C@H]1CC(F)(F)CN1Cc1nc(-c2nnc(C(C)(C)O)o2)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F
• InChI: InChI=1S/C25H24F10N4O2S/c1-11-8-23(28,29)10-39(11)9-15-16(42-19(36-15)18-37-38-20(41-18)21(2,3)40)13-6-5-12(7-14(13)17(26)27)22(4,24(30,31)32)25(33,34)35/h5-7,11,17,40H,8-10H2,1-4H3/t11-/m0/s1
• InChIKey: MAGZZTXSUDVDLB-NSHDSACASA-N
• XLogP: 7.64
• TPSA: 75.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.54
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol?

The IUPAC name of 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol (CID 121311833) is 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol.

What is the SMILES notation for 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol?

The canonical SMILES for 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol is C[C@H]1CC(F)(F)CN1Cc1nc(-c2nnc(C(C)(C)O)o2)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.

What is the InChIKey of 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol?

The InChIKey is MAGZZTXSUDVDLB-NSHDSACASA-N. The full InChI is InChI=1S/C25H24F10N4O2S/c1-11-8-23(28,29)10-39(11)9-15-16(42-19(36-15)18-37-38-20(41-18)21(2,3)40)13-6-5-12(7-14(13)17(26)27)22(4,24(30,31)32)25(33,34)35/h5-7,11,17,40H,8-10H2,1-4H3/t11-/m0/s1.

What are the key properties of 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol?

2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol has a molecular weight of 634.54 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-ol is sourced from PubChem (CID 121311833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).