2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride

C134H113ClF50N18O13S5 — CID 160892123

IUPAC2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride
SMILESCl.N#Cc1cc(F)c(F)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NC(=NO)c1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NO.O=c1[nH]c(-c2cc(F)c(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3CN3CCC(C(F)(F)F)CC3)cc2OCC(F)(F)F)no1.OCC(F)(F)F.OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C28H22F10N4O4S.C27H24F10N4O3S.C27H21F10N3O2S.C25H19F8N3OS.C18H18F6N2OS.C7H2F3N.C2H3F3O.ClH.H3NO/c29-18-9-17(23-40-25(43)46-41-23)20(45-13-26(30,31)32)10-21(18)44-12-22-19(11-42-7-5-16(6-8-42)28(36,37)38)39-24(47-22)14-1-3-15(4-2-14)27(33,34)35;28-18-9-17(23(38)40-42)20(44-13-25(29,30)31)10-21(18)43-12-22-19(11-41-7-5-16(6-8-41)27(35,36)37)39-24(45-22)14-1-3-15(4-2-14)26(32,33)34;28-19-9-16(11-38)21(42-14-25(29,30)31)10-22(19)41-13-23-20(12-40-7-5-18(6-8-40)27(35,36)37)39-24(43-23)15-1-3-17(4-2-15)26(32,33)34;26-18-10-21(19(27)9-15(18)11-34)37-13-22-20(12-36-7-5-17(6-8-36)25(31,32)33)35-23(38-22)14-1-3-16(4-2-14)24(28,29)30;19-17(20,21)12-3-1-11(2-4-12)16-25-14(15(10-27)28-16)9-26-7-5-13(6-8-26)18(22,23)24;8-5-2-7(10)6(9)1-4(5)3-11;3-2(4,5)1-6;;1-2/h1-4,9-10,16H,5-8,11-13H2,(H,40,41,43);1-4,9-10,16,42H,5-8,11-13H2,(H2,38,40);1-4,9-10,18H,5-8,12-14H2;1-4,9-10,17H,5-8,12-13H2;1-4,13,27H,5-10H2;1-2H;6H,1H2;1H;2H,1H2
InChIKeyARAYSPOESMKCEG-UHFFFAOYSA-N
MW3329.18 g/mol
LogP37.80
Rot. Bonds36

About 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride

2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride (PubChem CID 160892123) has the molecular formula C134H113ClF50N18O13S5 and a molecular weight of 3329.18 g/mol. Its IUPAC name is 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride.

Molecular Properties

Compound Name2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride
PubChem CID160892123
Molecular FormulaC134H113ClF50N18O13S5
Molecular Weight3329.18 g/mol
Exact Mass3326.62
IUPAC Name2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride
SMILESCl.N#Cc1cc(F)c(F)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NC(=NO)c1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NO.O=c1[nH]c(-c2cc(F)c(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3CN3CCC(C(F)(F)F)CC3)cc2OCC(F)(F)F)no1.OCC(F)(F)F.OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C28H22F10N4O4S.C27H24F10N4O3S.C27H21F10N3O2S.C25H19F8N3OS.C18H18F6N2OS.C7H2F3N.C2H3F3O.ClH.H3NO/c29-18-9-17(23-40-25(43)46-41-23)20(45-13-26(30,31)32)10-21(18)44-12-22-19(11-42-7-5-16(6-8-42)28(36,37)38)39-24(47-22)14-1-3-15(4-2-14)27(33,34)35;28-18-9-17(23(38)40-42)20(44-13-25(29,30)31)10-21(18)43-12-22-19(11-41-7-5-16(6-8-41)27(35,36)37)39-24(45-22)14-1-3-15(4-2-14)26(32,33)34;28-19-9-16(11-38)21(42-14-25(29,30)31)10-22(19)41-13-23-20(12-40-7-5-18(6-8-40)27(35,36)37)39-24(43-23)15-1-3-17(4-2-15)26(32,33)34;26-18-10-21(19(27)9-15(18)11-34)37-13-22-20(12-36-7-5-17(6-8-36)25(31,32)33)35-23(38-22)14-1-3-16(4-2-14)24(28,29)30;19-17(20,21)12-3-1-11(2-4-12)16-25-14(15(10-27)28-16)9-26-7-5-13(6-8-26)18(22,23)24;8-5-2-7(10)6(9)1-4(5)3-11;3-2(4,5)1-6;;1-2/h1-4,9-10,16H,5-8,11-13H2,(H,40,41,43);1-4,9-10,16,42H,5-8,11-13H2,(H2,38,40);1-4,9-10,18H,5-8,12-14H2;1-4,9-10,17H,5-8,12-13H2;1-4,13,27H,5-10H2;1-2H;6H,1H2;1H;2H,1H2
InChIKeyARAYSPOESMKCEG-UHFFFAOYSA-N
XLogP37.80
TPSA420.84 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.18
LogP ≤ 537.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride?
The IUPAC name of 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride (CID 160892123) is 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride.
What is the SMILES notation for 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride?
The canonical SMILES for 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride is Cl.N#Cc1cc(F)c(F)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1F.N#Cc1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NC(=NO)c1cc(F)c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)cc1OCC(F)(F)F.NO.O=c1[nH]c(-c2cc(F)c(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3CN3CCC(C(F)(F)F)CC3)cc2OCC(F)(F)F)no1.OCC(F)(F)F.OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride?
The InChIKey is ARAYSPOESMKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F10N4O4S.C27H24F10N4O3S.C27H21F10N3O2S.C25H19F8N3OS.C18H18F6N2OS.C7H2F3N.C2H3F3O.ClH.H3NO/c29-18-9-17(23-40-25(43)46-41-23)20(45-13-26(30,31)32)10-21(18)44-12-22-19(11-42-7-5-16(6-8-42)28(36,37)38)39-24(47-22)14-1-3-15(4-2-14)27(33,34)35;28-18-9-17(23(38)40-42)20(44-13-25(29,30)31)10-21(18)43-12-22-19(11-41-7-5-16(6-8-41)27(35,36)37)39-24(45-22)14-1-3-15(4-2-14)26(32,33)34;28-19-9-16(11-38)21(42-14-25(29,30)31)10-22(19)41-13-23-20(12-40-7-5-18(6-8-40)27(35,36)37)39-24(43-23)15-1-3-17(4-2-15)26(32,33)34;26-18-10-21(19(27)9-15(18)11-34)37-13-22-20(12-36-7-5-17(6-8-36)25(31,32)33)35-23(38-22)14-1-3-16(4-2-14)24(28,29)30;19-17(20,21)12-3-1-11(2-4-12)16-25-14(15(10-27)28-16)9-26-7-5-13(6-8-26)18(22,23)24;8-5-2-7(10)6(9)1-4(5)3-11;3-2(4,5)1-6;;1-2/h1-4,9-10,16H,5-8,11-13H2,(H,40,41,43);1-4,9-10,16,42H,5-8,11-13H2,(H2,38,40);1-4,9-10,18H,5-8,12-14H2;1-4,9-10,17H,5-8,12-13H2;1-4,13,27H,5-10H2;1-2H;6H,1H2;1H;2H,1H2.
What are the key properties of 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride?
2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride has a molecular weight of 3329.18 g/mol, XLogP of 37.80, 36 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;5-fluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide;5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzonitrile;3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one;hydroxylamine;2,4,5-trifluorobenzonitrile;2,2,2-trifluoroethanol;[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanol;hydrochloride is sourced from PubChem (CID 160892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).