4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C152H165F44N19O19S6 — CID 158009002

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)s1.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)N1C2CCC1CC2.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.[C-]#[N+]C1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)CC1
InChIInChI=1S/C26H26F8N4O3S.C26H29F6N3O3S.C26H31F6N3O3S.C25H27F8N3O4S.C25H27F8N3O3S.C24H25F8N3O3S/c1-23(2,41)12-36-20(39)21-37-17(22(40)38-9-7-14(35-4)8-10-38)18(42-21)15-6-5-13(11-16(15)19(27)28)24(3,25(29,30)31)26(32,33)34;1-13-11-14(24(4,25(27,28)29)26(30,31)32)5-10-17(13)19-18(22(37)35-15-6-7-16(35)9-8-15)34-21(39-19)20(36)33-12-23(2,3)38;1-14-12-16(24(5,25(27,28)29)26(30,31)32)9-10-17(14)19-18(22(37)35-11-7-6-8-15(35)2)34-21(39-19)20(36)33-13-23(3,4)38;1-22(2,40)11-34-19(38)20-35-16(21(39)36-8-4-5-13(36)10-37)17(41-20)14-7-6-12(9-15(14)18(26)27)23(3,24(28,29)30)25(31,32)33;1-12-8-14(22(5,24(28,29)30)25(31,32)33)6-7-15(12)17-16(20(38)36-11-23(26,27)9-13(36)2)35-19(40-17)18(37)34-10-21(3,4)39;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/h5-6,11,14,19,41H,7-10,12H2,1-3H3,(H,36,39);5,10-11,15-16,38H,6-9,12H2,1-4H3,(H,33,36);9-10,12,15,38H,6-8,11,13H2,1-5H3,(H,33,36);6-7,9,13,18,37,40H,4-5,8,10-11H2,1-3H3,(H,34,38);6-8,13,39H,9-11H2,1-5H3,(H,34,37);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36)/t;;15-;2*13-;11-/m..0100/s1
InChIKeyFEQNHQXRURVCOG-SCAFFNQHSA-N
MW3590.42 g/mol
LogP34.63
Rot. Bonds39

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 158009002) has the molecular formula C152H165F44N19O19S6 and a molecular weight of 3590.42 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID158009002
Molecular FormulaC152H165F44N19O19S6
Molecular Weight3590.42 g/mol
Exact Mass3588.02
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)s1.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)N1C2CCC1CC2.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.[C-]#[N+]C1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)CC1
InChIInChI=1S/C26H26F8N4O3S.C26H29F6N3O3S.C26H31F6N3O3S.C25H27F8N3O4S.C25H27F8N3O3S.C24H25F8N3O3S/c1-23(2,41)12-36-20(39)21-37-17(22(40)38-9-7-14(35-4)8-10-38)18(42-21)15-6-5-13(11-16(15)19(27)28)24(3,25(29,30)31)26(32,33)34;1-13-11-14(24(4,25(27,28)29)26(30,31)32)5-10-17(13)19-18(22(37)35-15-6-7-16(35)9-8-15)34-21(39-19)20(36)33-12-23(2,3)38;1-14-12-16(24(5,25(27,28)29)26(30,31)32)9-10-17(14)19-18(22(37)35-11-7-6-8-15(35)2)34-21(39-19)20(36)33-13-23(3,4)38;1-22(2,40)11-34-19(38)20-35-16(21(39)36-8-4-5-13(36)10-37)17(41-20)14-7-6-12(9-15(14)18(26)27)23(3,24(28,29)30)25(31,32)33;1-12-8-14(22(5,24(28,29)30)25(31,32)33)6-7-15(12)17-16(20(38)36-11-23(26,27)9-13(36)2)35-19(40-17)18(37)34-10-21(3,4)39;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/h5-6,11,14,19,41H,7-10,12H2,1-3H3,(H,36,39);5,10-11,15-16,38H,6-9,12H2,1-4H3,(H,33,36);9-10,12,15,38H,6-8,11,13H2,1-5H3,(H,33,36);6-7,9,13,18,37,40H,4-5,8,10-11H2,1-3H3,(H,34,38);6-8,13,39H,9-11H2,1-5H3,(H,34,37);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36)/t;;15-;2*13-;11-/m..0100/s1
InChIKeyFEQNHQXRURVCOG-SCAFFNQHSA-N
XLogP34.63
TPSA519.77 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003590.42
LogP ≤ 534.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 158009002) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)s1.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)N1C2CCC1CC2.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.[C-]#[N+]C1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2C(F)F)CC1.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is FEQNHQXRURVCOG-SCAFFNQHSA-N. The full InChI is InChI=1S/C26H26F8N4O3S.C26H29F6N3O3S.C26H31F6N3O3S.C25H27F8N3O4S.C25H27F8N3O3S.C24H25F8N3O3S/c1-23(2,41)12-36-20(39)21-37-17(22(40)38-9-7-14(35-4)8-10-38)18(42-21)15-6-5-13(11-16(15)19(27)28)24(3,25(29,30)31)26(32,33)34;1-13-11-14(24(4,25(27,28)29)26(30,31)32)5-10-17(13)19-18(22(37)35-15-6-7-16(35)9-8-15)34-21(39-19)20(36)33-12-23(2,3)38;1-14-12-16(24(5,25(27,28)29)26(30,31)32)9-10-17(14)19-18(22(37)35-11-7-6-8-15(35)2)34-21(39-19)20(36)33-13-23(3,4)38;1-22(2,40)11-34-19(38)20-35-16(21(39)36-8-4-5-13(36)10-37)17(41-20)14-7-6-12(9-15(14)18(26)27)23(3,24(28,29)30)25(31,32)33;1-12-8-14(22(5,24(28,29)30)25(31,32)33)6-7-15(12)17-16(20(38)36-11-23(26,27)9-13(36)2)35-19(40-17)18(37)34-10-21(3,4)39;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/h5-6,11,14,19,41H,7-10,12H2,1-3H3,(H,36,39);5,10-11,15-16,38H,6-9,12H2,1-4H3,(H,33,36);9-10,12,15,38H,6-8,11,13H2,1-5H3,(H,33,36);6-7,9,13,18,37,40H,4-5,8,10-11H2,1-3H3,(H,34,38);6-8,13,39H,9-11H2,1-5H3,(H,34,37);7-8,11,38H,5-6,9-10H2,1-4H3,(H,33,36)/t;;15-;2*13-;11-/m..0100/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3590.42 g/mol, XLogP of 34.63, 39 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-(2-hydroxy-2-methylpropyl)-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;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-(4-isocyanopiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-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-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158009002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).