2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C24H24F8N4O3S — CID 121301975

About 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121301975) has the molecular formula C24H24F8N4O3S and a molecular weight of 600.53 g/mol. Its IUPAC name is 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• PubChem CID: 121301975
• Molecular Formula: C24H24F8N4O3S
• Molecular Weight: 600.53 g/mol
• Exact Mass: 600.14
• IUPAC Name: 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• SMILES: Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2nnc(C(C)(C)O)o2)nc1CN1CC(F)(F)C[C@@H]1C
• InChI: InChI=1S/C24H24F8N4O3S/c1-11-7-13(22(38,23(27,28)29)24(30,31)32)5-6-14(11)16-15(9-36-10-21(25,26)8-12(36)2)33-18(40-16)17-34-35-19(39-17)20(3,4)37/h5-7,12,37-38H,8-10H2,1-4H3/t12-/m0/s1
• InChIKey: BHGXHHFXZPCMOT-LBPRGKRZSA-N
• XLogP: 5.94
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.53
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The IUPAC name of 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121301975) is 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

What is the SMILES notation for 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The canonical SMILES for 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2nnc(C(C)(C)O)o2)nc1CN1CC(F)(F)C[C@@H]1C.

What is the InChIKey of 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The InChIKey is BHGXHHFXZPCMOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H24F8N4O3S/c1-11-7-13(22(38,23(27,28)29)24(30,31)32)5-6-14(11)16-15(9-36-10-21(25,26)8-12(36)2)33-18(40-16)17-34-35-19(39-17)20(3,4)37/h5-7,12,37-38H,8-10H2,1-4H3/t12-/m0/s1.

What are the key properties of 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 600.53 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121301975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).