5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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

C123H138Cl2F30N20O17S5 — CID 159380220

IUPAC5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)c2noc(=O)[nH]2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl.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)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/C26H28Cl2F3N5O5S.C25H30F6N4O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-12-7-5-6-10-36(12)21(38)17-18(13-8-9-14(16(28)15(13)27)25(4,40)26(29,30)31)42-20(33-17)19(37)32-11-24(2,3)22-34-23(39)41-35-22;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;1-11-6-5-9-35(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/h8-9,12,40H,5-7,10-11H2,1-4H3,(H,32,37)(H,34,35,39);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);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)/t12-,25?;14-;11-;;13-/m000.0/s1
InChIKeyLKUVKKQAFCXDHW-CKDUQSBISA-N
MW2969.76 g/mol
LogP26.28
Rot. Bonds31

About 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 159380220) has the molecular formula C123H138Cl2F30N20O17S5 and a molecular weight of 2969.76 g/mol. Its IUPAC name is 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 CID159380220
Molecular FormulaC123H138Cl2F30N20O17S5
Molecular Weight2969.76 g/mol
Exact Mass2966.81
IUPAC Name5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)c2noc(=O)[nH]2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl.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)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/C26H28Cl2F3N5O5S.C25H30F6N4O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-12-7-5-6-10-36(12)21(38)17-18(13-8-9-14(16(28)15(13)27)25(4,40)26(29,30)31)42-20(33-17)19(37)32-11-24(2,3)22-34-23(39)41-35-22;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;1-11-6-5-9-35(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/h8-9,12,40H,5-7,10-11H2,1-4H3,(H,32,37)(H,34,35,39);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);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)/t12-,25?;14-;11-;;13-/m000.0/s1
InChIKeyLKUVKKQAFCXDHW-CKDUQSBISA-N
XLogP26.28
TPSA510.21 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002969.76
LogP ≤ 526.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 159380220) is 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)c2noc(=O)[nH]2)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl.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)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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 LKUVKKQAFCXDHW-CKDUQSBISA-N. The full InChI is InChI=1S/C26H28Cl2F3N5O5S.C25H30F6N4O3S.C24H25F8N3O3S.C24H27F7N4O3S.C24H28F6N4O3S/c1-12-7-5-6-10-36(12)21(38)17-18(13-8-9-14(16(28)15(13)27)25(4,40)26(29,30)31)42-20(33-17)19(37)32-11-24(2,3)22-34-23(39)41-35-22;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;1-11-6-5-9-35(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/h8-9,12,40H,5-7,10-11H2,1-4H3,(H,32,37)(H,34,35,39);10-11,14,38H,6-9,12H2,1-5H3,(H,33,36);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)/t12-,25?;14-;11-;;13-/m000.0/s1.
What are the key properties of 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 2969.76 g/mol, XLogP of 26.28, 31 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]-4-[(2S)-2-methylpiperidine-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-[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 159380220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).