[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

C24H22F9N5O3S — CID 121308330

IUPAC[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCCN1C(=O)c1nc(-c2nnc(C(C)(C)O)o2)sc1-c1cnc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H22F9N5O3S/c1-10-6-5-7-38(10)18(39)14-15(42-17(35-14)16-36-37-19(41-16)20(2,3)40)11-9-34-13(8-12(11)22(25,26)27)21(4,23(28,29)30)24(31,32)33/h8-10,40H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyHRMLRXVTKMNJTJ-JTQLQIEISA-N
MW631.52 g/mol
LogP6.51
Rot. Bonds5

About [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 121308330) has the molecular formula C24H22F9N5O3S and a molecular weight of 631.52 g/mol. Its IUPAC name is [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID121308330
Molecular FormulaC24H22F9N5O3S
Molecular Weight631.52 g/mol
Exact Mass631.13
IUPAC Name[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCCN1C(=O)c1nc(-c2nnc(C(C)(C)O)o2)sc1-c1cnc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H22F9N5O3S/c1-10-6-5-7-38(10)18(39)14-15(42-17(35-14)16-36-37-19(41-16)20(2,3)40)11-9-34-13(8-12(11)22(25,26)27)21(4,23(28,29)30)24(31,32)33/h8-10,40H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyHRMLRXVTKMNJTJ-JTQLQIEISA-N
XLogP6.51
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.52
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(trifluoromethyl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 121303965
ethane;N-(2-hydroxy-2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-5-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 145391607
3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)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-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)
CID 158958507
5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 121303292
5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 158865214
[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 121303858
2,3-dichloro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide;2,3-dichloro-4-[2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;5-[5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-4-(diethylcarbamoyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole-2-carboxamide;5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluorobutan-2-yl]sulfamoyl]phenyl]-N,N-diethyl-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 159396758
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxyethyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-propyl-1,3-thiazole-2-carboxamide
CID 156527447
[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(trifluoromethyl)phenyl]-2-[3-hydroxy-3-(2-hydroxypropan-2-yl)azetidine-1-carbonyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 121303189
5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 166920119
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-(2-methylpyrrolidine-1-carbonyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
CID 137248104
5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(trifluoromethyl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 121303342

Frequently Asked Questions

What is the IUPAC name of [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 121308330) is [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is C[C@H]1CCCN1C(=O)c1nc(-c2nnc(C(C)(C)O)o2)sc1-c1cnc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is HRMLRXVTKMNJTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C24H22F9N5O3S/c1-10-6-5-7-38(10)18(39)14-15(42-17(35-14)16-36-37-19(41-16)20(2,3)40)11-9-34-13(8-12(11)22(25,26)27)21(4,23(28,29)30)24(31,32)33/h8-10,40H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
[5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 631.52 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 121308330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).