5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C24H28F6N4O4S — CID 121303341

IUPAC5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C24H28F6N4O4S/c1-12-9-15(22(38,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-5-7-13(34)2)33-19(39-17)18(35)32-11-21(3,4)37/h9-10,13,37-38H,5-8,11H2,1-4H3,(H,32,35)/t13-/m0/s1
InChIKeyBKSNPVRLMQFUOJ-ZDUSSCGKSA-N
MW582.57 g/mol
LogP4.34
Rot. Bonds6

About 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 121303341) has the molecular formula C24H28F6N4O4S and a molecular weight of 582.57 g/mol. Its IUPAC name is 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID121303341
Molecular FormulaC24H28F6N4O4S
Molecular Weight582.57 g/mol
Exact Mass582.17
IUPAC Name5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C24H28F6N4O4S/c1-12-9-15(22(38,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-5-7-13(34)2)33-19(39-17)18(35)32-11-21(3,4)37/h9-10,13,37-38H,5-8,11H2,1-4H3,(H,32,35)/t13-/m0/s1
InChIKeyBKSNPVRLMQFUOJ-ZDUSSCGKSA-N
XLogP4.34
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 121303341) is 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BKSNPVRLMQFUOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H28F6N4O4S/c1-12-9-15(22(38,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-5-7-13(34)2)33-19(39-17)18(35)32-11-21(3,4)37/h9-10,13,37-38H,5-8,11H2,1-4H3,(H,32,35)/t13-/m0/s1.
What are the key properties of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 582.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).