5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

C160H159F21N22O13S7 — CID 159694212

About 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 159694212) has the molecular formula C160H159F21N22O13S7 and a molecular weight of 3221.60 g/mol. Its IUPAC name is 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
• PubChem CID: 159694212
• Molecular Formula: C160H159F21N22O13S7
• Molecular Weight: 3221.60 g/mol
• Exact Mass: 3219.02
• IUPAC Name: 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
• SMILES: CCCCCCCCOc1ccc(N(C(=O)CCC(=O)O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)CC(C)(C)C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)CCC)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)Nc2ccccc2)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1C(F)(F)F.Cc1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cccnc3)cs2)c1
• InChI: InChI=1S/C27H25F3N4O2S.C27H30F3N3O4S.C26H30F3N3O2S.C24H26F3N3O2S.C23H24F3N5O3S.C17H13F3N2S.C16H11F3N2S/c1-2-3-7-15-36-24-13-12-21(16-22(24)27(28,29)30)34(25(35)32-20-10-5-4-6-11-20)26-33-23(18-37-26)19-9-8-14-31-17-19;1-2-3-4-5-6-7-15-37-23-11-10-20(16-21(23)27(28,29)30)33(24(34)12-13-25(35)36)26-32-22(18-38-26)19-9-8-14-31-17-19;1-5-6-7-13-34-22-11-10-19(14-20(22)26(27,28)29)32(23(33)15-25(2,3)4)24-31-21(17-35-24)18-9-8-12-30-16-18;1-3-5-6-13-32-21-11-10-18(14-19(21)24(25,26)27)30(22(31)8-4-2)23-29-20(16-33-23)17-9-7-12-28-15-17;1-4-5-10-34-19-9-7-15(11-16(19)23(24,25)26)31(21(27)33)22-29-18(13-35-22)14-6-8-17(28-12-14)20(32)30(2)3;1-11-5-13(9-21-8-11)15-10-23-16(22-15)7-12-3-2-4-14(6-12)17(18,19)20;17-16(18,19)13-5-1-3-11(7-13)8-15-21-14(10-22-15)12-4-2-6-20-9-12/h4-6,8-14,16-18H,2-3,7,15H2,1H3,(H,32,35);8-11,14,16-18H,2-7,12-13,15H2,1H3,(H,35,36);8-12,14,16-17H,5-7,13,15H2,1-4H3;7,9-12,14-16H,3-6,8,13H2,1-2H3;6-9,11-13H,4-5,10H2,1-3H3,(H2,27,33);2-6,8-10H,7H2,1H3;1-7,9-10H,8H2
• InChIKey: MWUKZFYMIDWQHJ-UHFFFAOYSA-N
• XLogP: 46.07
• TPSA: 423.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 56
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3221.60
LogP ≤ 5	46.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?

The IUPAC name of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 159694212) is 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

What is the SMILES notation for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?

The canonical SMILES for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is CCCCCCCCOc1ccc(N(C(=O)CCC(=O)O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)CC(C)(C)C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)CCC)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)Nc2ccccc2)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1C(F)(F)F.Cc1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cccnc3)cs2)c1.

What is the InChIKey of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?

The InChIKey is MWUKZFYMIDWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O2S.C27H30F3N3O4S.C26H30F3N3O2S.C24H26F3N3O2S.C23H24F3N5O3S.C17H13F3N2S.C16H11F3N2S/c1-2-3-7-15-36-24-13-12-21(16-22(24)27(28,29)30)34(25(35)32-20-10-5-4-6-11-20)26-33-23(18-37-26)19-9-8-14-31-17-19;1-2-3-4-5-6-7-15-37-23-11-10-20(16-21(23)27(28,29)30)33(24(34)12-13-25(35)36)26-32-22(18-38-26)19-9-8-14-31-17-19;1-5-6-7-13-34-22-11-10-19(14-20(22)26(27,28)29)32(23(33)15-25(2,3)4)24-31-21(17-35-24)18-9-8-12-30-16-18;1-3-5-6-13-32-21-11-10-18(14-19(21)24(25,26)27)30(22(31)8-4-2)23-29-20(16-33-23)17-9-7-12-28-15-17;1-4-5-10-34-19-9-7-15(11-16(19)23(24,25)26)31(21(27)33)22-29-18(13-35-22)14-6-8-17(28-12-14)20(32)30(2)3;1-11-5-13(9-21-8-11)15-10-23-16(22-15)7-12-3-2-4-14(6-12)17(18,19)20;17-16(18,19)13-5-1-3-11(7-13)8-15-21-14(10-22-15)12-4-2-6-20-9-12/h4-6,8-14,16-18H,2-3,7,15H2,1H3,(H,32,35);8-11,14,16-18H,2-7,12-13,15H2,1H3,(H,35,36);8-12,14,16-17H,5-7,13,15H2,1-4H3;7,9-12,14-16H,3-6,8,13H2,1-2H3;6-9,11-13H,4-5,10H2,1-3H3,(H2,27,33);2-6,8-10H,7H2,1H3;1-7,9-10H,8H2.

What are the key properties of 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?

5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 3221.60 g/mol, XLogP of 46.07, 56 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-(5-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-[4-octoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 159694212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).