3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

C141H127Cl2F15N40O8S3 — CID 158535463

About 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 158535463) has the molecular formula C141H127Cl2F15N40O8S3 and a molecular weight of 2961.92 g/mol. Its IUPAC name is 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
• PubChem CID: 158535463
• Molecular Formula: C141H127Cl2F15N40O8S3
• Molecular Weight: 2961.92 g/mol
• Exact Mass: 2958.91
• IUPAC Name: 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
• SMILES: CCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2-c2ccc(Cl)cc2)nn1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2-c2ccccc2Cl)nn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(N)s5)nn4)c3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/2C32H32ClF3N8O.C27H23F3N8O2S.C26H21F3N8O3S.C24H19F3N8OS/c1-20-6-7-22(31(45)38-25-15-23(32(34,35)36)16-26(17-25)42(4)13-12-41(2)3)14-29(20)44-19-28(39-40-44)27-18-37-43(5)30(27)21-8-10-24(33)11-9-21;1-20-10-11-21(31(45)38-23-15-22(32(34,35)36)16-24(17-23)42(4)13-12-41(2)3)14-29(20)44-19-28(39-40-44)26-18-37-43(5)30(26)25-8-6-7-9-27(25)33;1-4-24(39)34-26-31-11-23(41-26)21-13-38(36-35-21)22-7-17(6-5-15(22)2)25(40)33-19-8-18(27(28,29)30)9-20(10-19)37-12-16(3)32-14-37;1-14-4-5-16(6-21(14)37-12-20(34-35-37)22-10-30-24(41-22)33-25(39)40-3)23(38)32-18-7-17(26(27,28)29)8-19(9-18)36-11-15(2)31-13-36;1-13-3-4-15(5-20(13)35-11-19(32-33-35)21-9-29-23(28)37-21)22(36)31-17-6-16(24(25,26)27)7-18(8-17)34-10-14(2)30-12-34/h2*6-11,14-19H,12-13H2,1-5H3,(H,38,45);5-14H,4H2,1-3H3,(H,33,40)(H,31,34,39);4-13H,1-3H3,(H,32,38)(H,30,33,39);3-12H,1-2H3,(H2,28,29)(H,31,36)
• InChIKey: HNWRXQTVNJBPHP-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 533.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2961.92
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?

The IUPAC name of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (CID 158535463) is 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is CCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2-c2ccc(Cl)cc2)nn1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2-c2ccccc2Cl)nn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(N)s5)nn4)c3)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?

The InChIKey is HNWRXQTVNJBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H32ClF3N8O.C27H23F3N8O2S.C26H21F3N8O3S.C24H19F3N8OS/c1-20-6-7-22(31(45)38-25-15-23(32(34,35)36)16-26(17-25)42(4)13-12-41(2)3)14-29(20)44-19-28(39-40-44)27-18-37-43(5)30(27)21-8-10-24(33)11-9-21;1-20-10-11-21(31(45)38-23-15-22(32(34,35)36)16-24(17-23)42(4)13-12-41(2)3)14-29(20)44-19-28(39-40-44)26-18-37-43(5)30(26)25-8-6-7-9-27(25)33;1-4-24(39)34-26-31-11-23(41-26)21-13-38(36-35-21)22-7-17(6-5-15(22)2)25(40)33-19-8-18(27(28,29)30)9-20(10-19)37-12-16(3)32-14-37;1-14-4-5-16(6-21(14)37-12-20(34-35-37)22-10-30-24(41-22)33-25(39)40-3)23(38)32-18-7-17(26(27,28)29)8-19(9-18)36-11-15(2)31-13-36;1-13-3-4-15(5-20(13)35-11-19(32-33-35)21-9-29-23(28)37-21)22(36)31-17-6-16(24(25,26)27)7-18(8-17)34-10-14(2)30-12-34/h2*6-11,14-19H,12-13H2,1-5H3,(H,38,45);5-14H,4H2,1-3H3,(H,33,40)(H,31,34,39);4-13H,1-3H3,(H,32,38)(H,30,33,39);3-12H,1-2H3,(H2,28,29)(H,31,36).

What are the key properties of 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?

3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 2961.92 g/mol, XLogP of 29.63, 36 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 158535463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).