2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C115H133N39O5S7 — CID 158197546

About 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 158197546) has the molecular formula C115H133N39O5S7 and a molecular weight of 2366.07 g/mol. Its IUPAC name is 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• PubChem CID: 158197546
• Molecular Formula: C115H133N39O5S7
• Molecular Weight: 2366.07 g/mol
• Exact Mass: 2363.94
• IUPAC Name: 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• SMILES: CN1CCN(c2nc(NC3=NCC=N3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3nc4ccccc4[nH]3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3ncc[nH]3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)sn1.Cc1nnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1
• InChI: InChI=1S/C26H28N8OS.C23H27N7OS2.C22H26N8OS2.2C22H26N8OS/c1-33-12-14-34(15-13-33)25-30-24(29-23-27-20-4-2-3-5-21(20)28-23)31-26(32-25)36-19-10-6-17(7-11-19)16-22(35)18-8-9-18;1-15-13-20(33-28-15)24-21-25-22(30-11-9-29(2)10-12-30)27-23(26-21)32-18-7-3-16(4-8-18)14-19(31)17-5-6-17;1-14-27-28-22(32-14)25-19-23-20(30-11-9-29(2)10-12-30)26-21(24-19)33-17-7-3-15(4-8-17)13-18(31)16-5-6-16;2*1-29-10-12-30(13-11-29)21-26-20(25-19-23-8-9-24-19)27-22(28-21)32-17-6-2-15(3-7-17)14-18(31)16-4-5-16/h2-7,10-11,18H,8-9,12-16H2,1H3,(H2,27,28,29,30,31,32);3-4,7-8,13,17H,5-6,9-12,14H2,1-2H3,(H,24,25,26,27);3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,23,24,25,26,28);2-3,6-8,16H,4-5,9-14H2,1H3,(H,24,25,26,27,28);2-3,6-9,16H,4-5,10-14H2,1H3,(H2,23,24,25,26,27,28)
• InChIKey: GANFPIAXJVRCGJ-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 492.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 39
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.07
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 158197546) is 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

What is the SMILES notation for 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The canonical SMILES for 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CN1CCN(c2nc(NC3=NCC=N3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3nc4ccccc4[nH]3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3ncc[nH]3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)sn1.Cc1nnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.

What is the InChIKey of 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The InChIKey is GANFPIAXJVRCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8OS.C23H27N7OS2.C22H26N8OS2.2C22H26N8OS/c1-33-12-14-34(15-13-33)25-30-24(29-23-27-20-4-2-3-5-21(20)28-23)31-26(32-25)36-19-10-6-17(7-11-19)16-22(35)18-8-9-18;1-15-13-20(33-28-15)24-21-25-22(30-11-9-29(2)10-12-30)27-23(26-21)32-18-7-3-16(4-8-18)14-19(31)17-5-6-17;1-14-27-28-22(32-14)25-19-23-20(30-11-9-29(2)10-12-30)26-21(24-19)33-17-7-3-15(4-8-17)13-18(31)16-5-6-16;2*1-29-10-12-30(13-11-29)21-26-20(25-19-23-8-9-24-19)27-22(28-21)32-17-6-2-15(3-7-17)14-18(31)16-4-5-16/h2-7,10-11,18H,8-9,12-16H2,1H3,(H2,27,28,29,30,31,32);3-4,7-8,13,17H,5-6,9-12,14H2,1-2H3,(H,24,25,26,27);3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,23,24,25,26,28);2-3,6-8,16H,4-5,9-14H2,1H3,(H,24,25,26,27,28);2-3,6-9,16H,4-5,10-14H2,1H3,(H2,23,24,25,26,27,28).

What are the key properties of 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2366.07 g/mol, XLogP of 15.83, 39 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-(1H-benzimidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-(1H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4H-imidazol-2-ylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1,2-thiazol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 158197546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).