5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C122H139F33N18O15S5 — CID 162208914

IUPAC5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)c(F)c1F.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C25H30F6N4O3S.C25H29F6N3O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-13-10-16(23(5,24(26,27)28)25(29,30)31)32-11-15(13)18-17(21(37)35-9-7-6-8-14(35)2)34-20(39-18)19(36)33-12-22(3,4)38;1-13-11-15(23(5,24(26,27)28)25(29,30)31)8-9-16(13)18-17(21(36)34-10-6-7-14(34)2)33-20(38-18)19(35)32-12-22(3,4)37;1-11-6-5-9-35(11)20(37)16-17(39-19(34-16)18(36)33-10-21(2,3)38)12-7-8-13(15(26)14(12)25)22(4,23(27,28)29)24(30,31)32;1-12-9-15(22(4,23(26,27)28)24(29,30)31)32-10-14(12)17-16(20(37)35-7-5-13(25)6-8-35)34-19(39-17)18(36)33-11-21(2,3)38;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37/h10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,14,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36);9-10,13,38H,5-8,11H2,1-4H3,(H,33,36);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35)/t2*14-;11-;;13-/m000.0/s1
InChIKeyZSOOMHOFHCJANJ-QHSNOELVSA-N
MW2884.83 g/mol
LogP26.62
Rot. Bonds30

About 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 162208914) has the molecular formula C122H139F33N18O15S5 and a molecular weight of 2884.83 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID162208914
Molecular FormulaC122H139F33N18O15S5
Molecular Weight2884.83 g/mol
Exact Mass2882.87
IUPAC Name5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)c(F)c1F.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C25H30F6N4O3S.C25H29F6N3O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-13-10-16(23(5,24(26,27)28)25(29,30)31)32-11-15(13)18-17(21(37)35-9-7-6-8-14(35)2)34-20(39-18)19(36)33-12-22(3,4)38;1-13-11-15(23(5,24(26,27)28)25(29,30)31)8-9-16(13)18-17(21(36)34-10-6-7-14(34)2)33-20(38-18)19(35)32-12-22(3,4)37;1-11-6-5-9-35(11)20(37)16-17(39-19(34-16)18(36)33-10-21(2,3)38)12-7-8-13(15(26)14(12)25)22(4,23(27,28)29)24(30,31)32;1-12-9-15(22(4,23(26,27)28)24(29,30)31)32-10-14(12)17-16(20(37)35-7-5-13(25)6-8-35)34-19(39-17)18(36)33-11-21(2,3)38;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37/h10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,14,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36);9-10,13,38H,5-8,11H2,1-4H3,(H,33,36);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35)/t2*14-;11-;;13-/m000.0/s1
InChIKeyZSOOMHOFHCJANJ-QHSNOELVSA-N
XLogP26.62
TPSA451.32 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.83
LogP ≤ 526.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 162208914) is 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)c(F)c1F.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZSOOMHOFHCJANJ-QHSNOELVSA-N. The full InChI is InChI=1S/C25H30F6N4O3S.C25H29F6N3O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-13-10-16(23(5,24(26,27)28)25(29,30)31)32-11-15(13)18-17(21(37)35-9-7-6-8-14(35)2)34-20(39-18)19(36)33-12-22(3,4)38;1-13-11-15(23(5,24(26,27)28)25(29,30)31)8-9-16(13)18-17(21(36)34-10-6-7-14(34)2)33-20(38-18)19(35)32-12-22(3,4)37;1-11-6-5-9-35(11)20(37)16-17(39-19(34-16)18(36)33-10-21(2,3)38)12-7-8-13(15(26)14(12)25)22(4,23(27,28)29)24(30,31)32;1-12-9-15(22(4,23(26,27)28)24(29,30)31)32-10-14(12)17-16(20(37)35-7-5-13(25)6-8-35)34-19(39-17)18(36)33-11-21(2,3)38;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37/h10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,14,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36);9-10,13,38H,5-8,11H2,1-4H3,(H,33,36);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35)/t2*14-;11-;;13-/m000.0/s1.
What are the key properties of 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2884.83 g/mol, XLogP of 26.62, 30 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 162208914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).