2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone

C145H136F15N33O5S4 — CID 158061171

About 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone

2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone (PubChem CID 158061171) has the molecular formula C145H136F15N33O5S4 and a molecular weight of 2834.15 g/mol. Its IUPAC name is 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone
• PubChem CID: 158061171
• Molecular Formula: C145H136F15N33O5S4
• Molecular Weight: 2834.15 g/mol
• Exact Mass: 2832.00
• IUPAC Name: 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone
• SMILES: CCc1ncc(-c2cn(-c3cc(CC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CC(C)C)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CCCN(C)C)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CCCN6CCCC6)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C32H32F3N7OS.C30H30F3N7OS.C29H27F3N6OS.C27H24F3N7O.C27H23F3N6OS/c1-21-7-8-23(13-29(43)24-14-25(32(33,34)35)16-26(15-24)41-18-22(2)37-20-41)12-28(21)42-19-27(38-39-42)30-17-36-31(44-30)6-5-11-40-9-3-4-10-40;1-19-7-8-21(10-26(19)40-17-25(36-37-40)28-15-34-29(42-28)6-5-9-38(3)4)11-27(41)22-12-23(30(31,32)33)14-24(13-22)39-16-20(2)35-18-39;1-17(2)7-28-33-13-27(40-28)24-15-38(36-35-24)25-8-20(6-5-18(25)3)9-26(39)21-10-22(29(30,31)32)12-23(11-21)37-14-19(4)34-16-37;1-16-5-6-19(7-25(16)37-14-24(33-34-37)23-12-32-35(4)18(23)3)8-26(38)20-9-21(27(28,29)30)11-22(10-20)36-13-17(2)31-15-36;1-4-26-31-12-25(38-26)22-14-36(34-33-22)23-7-18(6-5-16(23)2)8-24(37)19-9-20(27(28,29)30)11-21(10-19)35-13-17(3)32-15-35/h7-8,12,14-20H,3-6,9-11,13H2,1-2H3;7-8,10,12-18H,5-6,9,11H2,1-4H3;5-6,8,10-17H,7,9H2,1-4H3;5-7,9-15H,8H2,1-4H3;5-7,9-15H,4,8H2,1-3H3
• InChIKey: FKQWGIGHUOAGGZ-UHFFFAOYSA-N
• XLogP: 31.06
• TPSA: 403.86 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2834.15
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone?

The IUPAC name of 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone (CID 158061171) is 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone.

What is the SMILES notation for 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone?

The canonical SMILES for 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone is CCc1ncc(-c2cn(-c3cc(CC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CC(C)C)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CCCN(C)C)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnc(CCCN6CCCC6)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone?

The InChIKey is FKQWGIGHUOAGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N7OS.C30H30F3N7OS.C29H27F3N6OS.C27H24F3N7O.C27H23F3N6OS/c1-21-7-8-23(13-29(43)24-14-25(32(33,34)35)16-26(15-24)41-18-22(2)37-20-41)12-28(21)42-19-27(38-39-42)30-17-36-31(44-30)6-5-11-40-9-3-4-10-40;1-19-7-8-21(10-26(19)40-17-25(36-37-40)28-15-34-29(42-28)6-5-9-38(3)4)11-27(41)22-12-23(30(31,32)33)14-24(13-22)39-16-20(2)35-18-39;1-17(2)7-28-33-13-27(40-28)24-15-38(36-35-24)25-8-20(6-5-18(25)3)9-26(39)21-10-22(29(30,31)32)12-23(11-21)37-14-19(4)34-16-37;1-16-5-6-19(7-25(16)37-14-24(33-34-37)23-12-32-35(4)18(23)3)8-26(38)20-9-21(27(28,29)30)11-22(10-20)36-13-17(2)31-15-36;1-4-26-31-12-25(38-26)22-14-36(34-33-22)23-7-18(6-5-16(23)2)8-24(37)19-9-20(27(28,29)30)11-21(10-19)35-13-17(3)32-15-35/h7-8,12,14-20H,3-6,9-11,13H2,1-2H3;7-8,10,12-18H,5-6,9,11H2,1-4H3;5-6,8,10-17H,7,9H2,1-4H3;5-7,9-15H,8H2,1-4H3;5-7,9-15H,4,8H2,1-3H3.

What are the key properties of 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone?

2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone has a molecular weight of 2834.15 g/mol, XLogP of 31.06, 41 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(2-ethyl-1,3-thiazol-5-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone;1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[4-[2-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-5-yl]triazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 158061171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).