5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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

C124H137F37N16O17S5 — CID 158550437

IUPAC5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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
SMILESCOc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.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
InChIInChI=1S/C25H25F10N3O3S.C25H27F8N3O4S.C25H30F6N4O3S.C25H29F6N3O4S.C24H26F7N3O3S/c1-11-8-23(28,29)10-38(11)20(40)15-16(42-19(37-15)18(39)36-9-21(2,3)41)13-6-5-12(7-14(13)17(26)27)22(4,24(30,31)32)25(33,34)35;1-12-6-5-9-36(12)20(38)16-17(41-19(35-16)18(37)34-11-22(2,3)39)14-8-7-13(10-15(14)40-21(26)27)23(4,24(28,29)30)25(31,32)33;1-13-10-16(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;1-13-7-6-10-34(13)21(36)17-18(39-20(33-17)19(35)32-12-22(2,3)37)15-9-8-14(11-16(15)38-5)23(4,24(26,27)28)25(29,30)31;1-12-6-5-9-34(12)20(36)16-17(38-19(33-16)18(35)32-11-21(2,3)37)14-8-7-13(10-15(14)25)22(4,23(26,27)28)24(29,30)31/h5-7,11,17,41H,8-10H2,1-4H3,(H,36,39);7-8,10,12,21,39H,5-6,9,11H2,1-4H3,(H,34,37);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,13,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,10,12,37H,5-6,9,11H2,1-4H3,(H,32,35)/t11-;12-;14-;13-;12-/m00000/s1
InChIKeyHPQNIBGBCNDYIL-WAWBFUIXSA-N
MW2986.82 g/mol
LogP28.61
Rot. Bonds34

About 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 (PubChem CID 158550437) has the molecular formula C124H137F37N16O17S5 and a molecular weight of 2986.82 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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
PubChem CID158550437
Molecular FormulaC124H137F37N16O17S5
Molecular Weight2986.82 g/mol
Exact Mass2984.84
IUPAC Name5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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
SMILESCOc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.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
InChIInChI=1S/C25H25F10N3O3S.C25H27F8N3O4S.C25H30F6N4O3S.C25H29F6N3O4S.C24H26F7N3O3S/c1-11-8-23(28,29)10-38(11)20(40)15-16(42-19(37-15)18(39)36-9-21(2,3)41)13-6-5-12(7-14(13)17(26)27)22(4,24(30,31)32)25(33,34)35;1-12-6-5-9-36(12)20(38)16-17(41-19(35-16)18(37)34-11-22(2,3)39)14-8-7-13(10-15(14)40-21(26)27)23(4,24(28,29)30)25(31,32)33;1-13-10-16(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;1-13-7-6-10-34(13)21(36)17-18(39-20(33-17)19(35)32-12-22(2,3)37)15-9-8-14(11-16(15)38-5)23(4,24(26,27)28)25(29,30)31;1-12-6-5-9-34(12)20(36)16-17(38-19(33-16)18(35)32-11-21(2,3)37)14-8-7-13(10-15(14)25)22(4,23(26,27)28)24(29,30)31/h5-7,11,17,41H,8-10H2,1-4H3,(H,36,39);7-8,10,12,21,39H,5-6,9,11H2,1-4H3,(H,34,37);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,13,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,10,12,37H,5-6,9,11H2,1-4H3,(H,32,35)/t11-;12-;14-;13-;12-/m00000/s1
InChIKeyHPQNIBGBCNDYIL-WAWBFUIXSA-N
XLogP28.61
TPSA444.00 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.82
LogP ≤ 528.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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?
The IUPAC name of 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 (CID 158550437) is 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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.
What is the SMILES notation for 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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?
The canonical SMILES for 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 is COc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1F.C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.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.
What is the InChIKey of 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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?
The InChIKey is HPQNIBGBCNDYIL-WAWBFUIXSA-N. The full InChI is InChI=1S/C25H25F10N3O3S.C25H27F8N3O4S.C25H30F6N4O3S.C25H29F6N3O4S.C24H26F7N3O3S/c1-11-8-23(28,29)10-38(11)20(40)15-16(42-19(37-15)18(39)36-9-21(2,3)41)13-6-5-12(7-14(13)17(26)27)22(4,24(30,31)32)25(33,34)35;1-12-6-5-9-36(12)20(38)16-17(41-19(35-16)18(37)34-11-22(2,3)39)14-8-7-13(10-15(14)40-21(26)27)23(4,24(28,29)30)25(31,32)33;1-13-10-16(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;1-13-7-6-10-34(13)21(36)17-18(39-20(33-17)19(35)32-12-22(2,3)37)15-9-8-14(11-16(15)38-5)23(4,24(26,27)28)25(29,30)31;1-12-6-5-9-34(12)20(36)16-17(38-19(33-16)18(35)32-11-21(2,3)37)14-8-7-13(10-15(14)25)22(4,23(26,27)28)24(29,30)31/h5-7,11,17,41H,8-10H2,1-4H3,(H,36,39);7-8,10,12,21,39H,5-6,9,11H2,1-4H3,(H,34,37);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);8-9,11,13,37H,6-7,10,12H2,1-5H3,(H,32,35);7-8,10,12,37H,5-6,9,11H2,1-4H3,(H,32,35)/t11-;12-;14-;13-;12-/m00000/s1.
What are the key properties of 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 has a molecular weight of 2986.82 g/mol, XLogP of 28.61, 34 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[2-fluoro-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;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]-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 is sourced from PubChem (CID 158550437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).