3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C133H126F15N41O7S4 — CID 159977145

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 159977145) has the molecular formula C133H126F15N41O7S4 and a molecular weight of 2823.99 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 159977145
• Molecular Formula: C133H126F15N41O7S4
• Molecular Weight: 2823.99 g/mol
• Exact Mass: 2821.94
• IUPAC Name: 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• SMILES: CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N(C)CCN(C)C)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(-c2cnc(N)s2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(c4ccncc4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(N)s5)nn4)c3)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C31H30F3N9O.C27H29F3N8O2S.C26H21F3N8O2S.C25H27F3N8OS.C24H19F3N8OS/c1-20-4-5-22(14-29(20)43-19-28(38-39-43)27-18-36-40(3)21(27)2)30(44)37-24-15-23(31(32,33)34)16-26(17-24)42-12-10-41(11-13-42)25-6-8-35-9-7-25;1-16-6-7-18(10-23(16)38-15-22(34-35-38)24-14-31-26(41-24)32-17(2)39)25(40)33-20-11-19(27(28,29)30)12-21(13-20)37(5)9-8-36(3)4;1-14-4-5-17(6-22(14)37-12-21(34-35-37)23-10-30-25(40-23)32-16(3)38)24(39)33-19-7-18(26(27,28)29)8-20(9-19)36-11-15(2)31-13-36;1-15-5-6-16(9-21(15)36-14-20(32-33-36)22-13-30-24(29)38-22)23(37)31-18-10-17(25(26,27)28)11-19(12-18)35(4)8-7-34(2)3;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/h4-9,14-19H,10-13H2,1-3H3,(H,37,44);6-7,10-15H,8-9H2,1-5H3,(H,33,40)(H,31,32,39);4-13H,1-3H3,(H,33,39)(H,30,32,38);5-6,9-14H,7-8H2,1-4H3,(H2,29,30)(H,31,37);3-12H,1-2H3,(H2,28,29)(H,31,36)
• InChIKey: OFHKXPVPSVXDIB-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 546.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2823.99
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 159977145) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N(C)CCN(C)C)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(-c2cnc(N)s2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(c4ccncc4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)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-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is OFHKXPVPSVXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N9O.C27H29F3N8O2S.C26H21F3N8O2S.C25H27F3N8OS.C24H19F3N8OS/c1-20-4-5-22(14-29(20)43-19-28(38-39-43)27-18-36-40(3)21(27)2)30(44)37-24-15-23(31(32,33)34)16-26(17-24)42-12-10-41(11-13-42)25-6-8-35-9-7-25;1-16-6-7-18(10-23(16)38-15-22(34-35-38)24-14-31-26(41-24)32-17(2)39)25(40)33-20-11-19(27(28,29)30)12-21(13-20)37(5)9-8-36(3)4;1-14-4-5-17(6-22(14)37-12-21(34-35-37)23-10-30-25(40-23)32-16(3)38)24(39)33-19-7-18(26(27,28)29)8-20(9-19)36-11-15(2)31-13-36;1-15-5-6-16(9-21(15)36-14-20(32-33-36)22-13-30-24(29)38-22)23(37)31-18-10-17(25(26,27)28)11-19(12-18)35(4)8-7-34(2)3;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/h4-9,14-19H,10-13H2,1-3H3,(H,37,44);6-7,10-15H,8-9H2,1-5H3,(H,33,40)(H,31,32,39);4-13H,1-3H3,(H,33,39)(H,30,32,38);5-6,9-14H,7-8H2,1-4H3,(H2,29,30)(H,31,37);3-12H,1-2H3,(H2,28,29)(H,31,36).

What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2823.99 g/mol, XLogP of 25.22, 34 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;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-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-pyridin-4-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159977145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).