1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide

C116H148N36O9S10 — CID 160854710

About 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide

1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide (PubChem CID 160854710) has the molecular formula C116H148N36O9S10 and a molecular weight of 2511.37 g/mol. Its IUPAC name is 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide
• PubChem CID: 160854710
• Molecular Formula: C116H148N36O9S10
• Molecular Weight: 2511.37 g/mol
• Exact Mass: 2508.94
• IUPAC Name: 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide
• SMILES: CC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(CCO)CC3)n2)cc1.CC(C)NC(=O)c1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(CCO)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(CC)s3)nc(N3CCN(CCO)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(C)=O)cc3)nc(N3CCN(CCO)CC3)n2)s1
• InChI: InChI=1S/C24H32N8OS2.C24H31N7O2S2.2C23H29N7O2S2.C22H27N7O2S2/c1-15(2)19-14-25-23(35-19)28-21-27-22(32-12-10-31(5)11-13-32)30-24(29-21)34-18-8-6-17(7-9-18)20(33)26-16(3)4;1-3-18(33)15-17-5-7-20(8-6-17)35-24-28-21(27-23-25-16-19(4-2)34-23)26-22(29-24)31-11-9-30(10-12-31)13-14-32;1-3-18(32)14-17-4-6-19(7-5-17)34-23-27-20(26-22-24-15-16(2)33-22)25-21(28-23)30-10-8-29(9-11-30)12-13-31;1-3-18-15-24-22(33-18)26-20-25-21(30-10-8-29(9-11-30)12-13-31)28-23(27-20)34-19-6-4-17(5-7-19)14-16(2)32;1-15(31)13-17-3-5-18(6-4-17)33-22-26-19(25-21-23-14-16(2)32-21)24-20(27-22)29-9-7-28(8-10-29)11-12-30/h6-9,14-16H,10-13H2,1-5H3,(H,26,33)(H,25,27,28,29,30);5-8,16,32H,3-4,9-15H2,1-2H3,(H,25,26,27,28,29);2*4-7,15,31H,3,8-14H2,1-2H3,(H,24,25,26,27,28);3-6,14,30H,7-13H2,1-2H3,(H,23,24,25,26,27)
• InChIKey: SJSGDRIZOSMEKT-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 528.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 54
• Rotatable Bonds: 48
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2511.37
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide?

The IUPAC name of 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide (CID 160854710) is 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide is CC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(CCO)CC3)n2)cc1.CC(C)NC(=O)c1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(CCO)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(CC)s3)nc(N3CCN(CCO)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(C)=O)cc3)nc(N3CCN(CCO)CC3)n2)s1.

What is the InChIKey of 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide?

The InChIKey is SJSGDRIZOSMEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8OS2.C24H31N7O2S2.2C23H29N7O2S2.C22H27N7O2S2/c1-15(2)19-14-25-23(35-19)28-21-27-22(32-12-10-31(5)11-13-32)30-24(29-21)34-18-8-6-17(7-9-18)20(33)26-16(3)4;1-3-18(33)15-17-5-7-20(8-6-17)35-24-28-21(27-23-25-16-19(4-2)34-23)26-22(29-24)31-11-9-30(10-12-31)13-14-32;1-3-18(32)14-17-4-6-19(7-5-17)34-23-27-20(26-22-24-15-16(2)33-22)25-21(28-23)30-10-8-29(9-11-30)12-13-31;1-3-18-15-24-22(33-18)26-20-25-21(30-10-8-29(9-11-30)12-13-31)28-23(27-20)34-19-6-4-17(5-7-19)14-16(2)32;1-15(31)13-17-3-5-18(6-4-17)33-22-26-19(25-21-23-14-16(2)32-21)24-20(27-22)29-9-7-28(8-10-29)11-12-30/h6-9,14-16H,10-13H2,1-5H3,(H,26,33)(H,25,27,28,29,30);5-8,16,32H,3-4,9-15H2,1-2H3,(H,25,26,27,28,29);2*4-7,15,31H,3,8-14H2,1-2H3,(H,24,25,26,27,28);3-6,14,30H,7-13H2,1-2H3,(H,23,24,25,26,27).

What are the key properties of 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide?

1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide has a molecular weight of 2511.37 g/mol, XLogP of 16.63, 48 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 160854710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).