dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide

C179H149F30N34O12S6+3 — CID 159343440

About dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide

dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide (PubChem CID 159343440) has the molecular formula C179H149F30N34O12S6+3 and a molecular weight of 3730.73 g/mol. Its IUPAC name is dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide.

Molecular Properties

• Compound Name: dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide
• PubChem CID: 159343440
• Molecular Formula: C179H149F30N34O12S6+3
• Molecular Weight: 3730.73 g/mol
• Exact Mass: 3727.99
• IUPAC Name: dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide
• SMILES: CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.CN(C)c1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.CNc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.C[N+](C)(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.C[N+](C)(CCNC(=O)N(c1cccc(C(F)(F)F)c1)c1[nH]c(-c2cccc(N=O)c2)c[nH+]1)CCNC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1.N#Cc1cccc(-c2cc(Cc3cccc(C(F)(F)F)c3)no2)c1.N#Cc1cccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1.Nc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.O[n+]1cccc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)c1.[OH-]
• InChI: InChI=1S/C40H34F6N10O5S.C20H22F3N4OS.C18H16F3N3OS.C18H16F3N3S.C18H11F3N2O.C17H10F3N3O.C17H14F3N3S.C16H12F3N3S.C15H11F3N3O2.H2O/c1-56(2,17-15-47-36(57)53(30-12-5-9-27(21-30)39(41,42)43)35-49-23-33(50-35)25-7-3-11-29(19-25)52-59)18-16-48-37(58)54(31-13-6-10-28(22-31)40(44,45)46)38-51-34(24-62-38)26-8-4-14-32(20-26)55(60)61;1-27(2,3)9-10-28-18-11-14(7-8-24-18)17-13-29-19(26-17)25-16-6-4-5-15(12-16)20(21,22)23;1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21;1-24(2)16-10-13(6-7-22-16)15-11-25-17(23-15)9-12-4-3-5-14(8-12)18(19,20)21;19-18(20,21)15-6-2-3-12(8-15)9-16-10-17(24-23-16)14-5-1-4-13(7-14)11-22;18-17(19,20)14-6-2-3-11(8-14)9-15-22-16(24-23-15)13-5-1-4-12(7-13)10-21;1-21-15-9-12(5-6-22-15)14-10-24-16(23-14)8-11-3-2-4-13(7-11)17(18,19)20;17-16(18,19)12-3-1-2-10(6-12)7-15-22-13(9-23-15)11-4-5-21-14(20)8-11;16-15(17,18)12-5-1-3-10(7-12)8-13-19-14(20-23-13)11-4-2-6-21(22)9-11;/h3-14,19-24H,15-18H2,1-2H3,(H2-,47,48,49,50,57,58);4-8,11-13H,9-10H2,1-3H3,(H,25,26);3-7,9-11H,2,8H2,1H3,(H,23,24);3-8,10-11H,9H2,1-2H3;1-8,10H,9H2;1-8H,9H2;2-7,9-10H,8H2,1H3,(H,21,22);1-6,8-9H,7H2,(H2,20,21);1-7,9,22H,8H2;1H2/q;+1;;;;;;;+1;/p+1
• InChIKey: HEKLVIJRKPQFKO-UHFFFAOYSA-O
• XLogP: 46.11
• TPSA: 598.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 47
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3730.73
LogP ≤ 5	46.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide?

The IUPAC name of dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide (CID 159343440) is dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide.

What is the SMILES notation for dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide?

The canonical SMILES for dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide is CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.CN(C)c1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.CNc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.C[N+](C)(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.C[N+](C)(CCNC(=O)N(c1cccc(C(F)(F)F)c1)c1[nH]c(-c2cccc(N=O)c2)c[nH+]1)CCNC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1.N#Cc1cccc(-c2cc(Cc3cccc(C(F)(F)F)c3)no2)c1.N#Cc1cccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1.Nc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1.O[n+]1cccc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)c1.[OH-].

What is the InChIKey of dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide?

The InChIKey is HEKLVIJRKPQFKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H34F6N10O5S.C20H22F3N4OS.C18H16F3N3OS.C18H16F3N3S.C18H11F3N2O.C17H10F3N3O.C17H14F3N3S.C16H12F3N3S.C15H11F3N3O2.H2O/c1-56(2,17-15-47-36(57)53(30-12-5-9-27(21-30)39(41,42)43)35-49-23-33(50-35)25-7-3-11-29(19-25)52-59)18-16-48-37(58)54(31-13-6-10-28(22-31)40(44,45)46)38-51-34(24-62-38)26-8-4-14-32(20-26)55(60)61;1-27(2,3)9-10-28-18-11-14(7-8-24-18)17-13-29-19(26-17)25-16-6-4-5-15(12-16)20(21,22)23;1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21;1-24(2)16-10-13(6-7-22-16)15-11-25-17(23-15)9-12-4-3-5-14(8-12)18(19,20)21;19-18(20,21)15-6-2-3-12(8-15)9-16-10-17(24-23-16)14-5-1-4-13(7-14)11-22;18-17(19,20)14-6-2-3-11(8-14)9-15-22-16(24-23-15)13-5-1-4-12(7-13)10-21;1-21-15-9-12(5-6-22-15)14-10-24-16(23-14)8-11-3-2-4-13(7-11)17(18,19)20;17-16(18,19)12-3-1-2-10(6-12)7-15-22-13(9-23-15)11-4-5-21-14(20)8-11;16-15(17,18)12-5-1-3-10(7-12)8-13-19-14(20-23-13)11-4-2-6-21(22)9-11;/h3-14,19-24H,15-18H2,1-2H3,(H2-,47,48,49,50,57,58);4-8,11-13H,9-10H2,1-3H3,(H,25,26);3-7,9-11H,2,8H2,1H3,(H,23,24);3-8,10-11H,9H2,1-2H3;1-8,10H,9H2;1-8H,9H2;2-7,9-10H,8H2,1H3,(H,21,22);1-6,8-9H,7H2,(H2,20,21);1-7,9,22H,8H2;1H2/q;+1;;;;;;;+1;/p+1.

What are the key properties of dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide?

dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide has a molecular weight of 3730.73 g/mol, XLogP of 46.11, 47 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide is sourced from PubChem (CID 159343440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).