3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide

C136H139F15N40O10S5 — CID 159891411

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide (PubChem CID 159891411) has the molecular formula C136H139F15N40O10S5 and a molecular weight of 2939.18 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
• PubChem CID: 159891411
• Molecular Formula: C136H139F15N40O10S5
• Molecular Weight: 2939.18 g/mol
• Exact Mass: 2937.00
• IUPAC Name: 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
• SMILES: CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(NC(C)=O)s5)nn4)c3)cc(C(F)(F)F)c2)CC1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)s2)nn1
• InChI: InChI=1S/3C28H29F3N8O2S.C27H27F3N8O3S.C25H25F3N8OS/c1-17-5-6-19(11-24(17)39-16-23(35-36-39)25-15-32-27(42-25)33-18(2)40)26(41)34-21-12-20(28(29,30)31)13-22(14-21)38-8-4-7-37(3)9-10-38;1-4-25(40)34-27-32-15-24(42-27)22-16-39(36-35-22)23-11-18(6-5-17(23)2)26(41)33-20-12-19(28(29,30)31)13-21(14-20)38-9-7-37(3)8-10-38;1-4-37-7-9-38(10-8-37)22-13-20(28(29,30)31)12-21(14-22)34-26(41)19-6-5-17(2)24(11-19)39-16-23(35-36-39)25-15-32-27(42-25)33-18(3)40;1-16-4-5-17(10-22(16)38-15-21(34-35-38)23-14-31-25(42-23)33-26(40)41-3)24(39)32-19-11-18(27(28,29)30)12-20(13-19)37-8-6-36(2)7-9-37;1-15-3-4-16(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)35-7-5-34(2)6-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,34,41)(H,32,33,40);5-6,11-16H,4,7-10H2,1-3H3,(H,33,41)(H,32,34,40);5-6,11-16H,4,7-10H2,1-3H3,(H,34,41)(H,32,33,40);4-5,10-15H,6-9H2,1-3H3,(H,32,39)(H,31,33,40);3-4,9-14H,5-8H2,1-2H3,(H2,29,30)(H,31,37)
• InChIKey: NUULJHNAVMPTDX-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 547.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2939.18
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide?

The IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide (CID 159891411) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide.

What is the SMILES notation for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide?

The canonical SMILES for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide is CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CCC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.CCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(NC(C)=O)s5)nn4)c3)cc(C(F)(F)F)c2)CC1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)s2)nn1.

What is the InChIKey of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide?

The InChIKey is NUULJHNAVMPTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H29F3N8O2S.C27H27F3N8O3S.C25H25F3N8OS/c1-17-5-6-19(11-24(17)39-16-23(35-36-39)25-15-32-27(42-25)33-18(2)40)26(41)34-21-12-20(28(29,30)31)13-22(14-21)38-8-4-7-37(3)9-10-38;1-4-25(40)34-27-32-15-24(42-27)22-16-39(36-35-22)23-11-18(6-5-17(23)2)26(41)33-20-12-19(28(29,30)31)13-21(14-20)38-9-7-37(3)8-10-38;1-4-37-7-9-38(10-8-37)22-13-20(28(29,30)31)12-21(14-22)34-26(41)19-6-5-17(2)24(11-19)39-16-23(35-36-39)25-15-32-27(42-25)33-18(3)40;1-16-4-5-17(10-22(16)38-15-21(34-35-38)23-14-31-25(42-23)33-26(40)41-3)24(39)32-19-11-18(27(28,29)30)12-20(13-19)37-8-6-36(2)7-9-37;1-15-3-4-16(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)35-7-5-34(2)6-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,34,41)(H,32,33,40);5-6,11-16H,4,7-10H2,1-3H3,(H,33,41)(H,32,34,40);5-6,11-16H,4,7-10H2,1-3H3,(H,34,41)(H,32,33,40);4-5,10-15H,6-9H2,1-3H3,(H,32,39)(H,31,33,40);3-4,9-14H,5-8H2,1-2H3,(H2,29,30)(H,31,37).

What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide?

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide has a molecular weight of 2939.18 g/mol, XLogP of 24.42, 31 rotatable bonds, 10 hydrogen bond donors, and 46 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-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(2-amino-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-(propanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide is sourced from PubChem (CID 159891411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).