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

C123H142N40O5S10 — CID 162059526

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

4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide (PubChem CID 162059526) has the molecular formula C123H142N40O5S10 and a molecular weight of 2581.43 g/mol. Its IUPAC name is 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide.

Molecular Properties

• Compound Name: 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide
• PubChem CID: 162059526
• Molecular Formula: C123H142N40O5S10
• Molecular Weight: 2581.43 g/mol
• Exact Mass: 2578.93
• IUPAC Name: 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide
• SMILES: CC(C)c1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(C(=O)NC(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(C(=O)NC(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1
• InChI: InChI=1S/C27H30N8OS2.C26H28N8OS2.C25H26N8OS2.C23H30N8OS2.C22H28N8OS2/c1-18(2)22-17-28-26(38-22)31-24-30-25(35-15-13-34(3)14-16-35)33-27(32-24)37-21-11-9-19(10-12-21)23(36)29-20-7-5-4-6-8-20;1-3-20-17-27-25(36-20)30-23-29-24(34-15-13-33(2)14-16-34)32-26(31-23)37-21-11-9-18(10-12-21)22(35)28-19-7-5-4-6-8-19;1-17-16-26-24(35-17)29-22-28-23(33-14-12-32(2)13-15-33)31-25(30-22)36-20-10-8-18(9-11-20)21(34)27-19-6-4-3-5-7-19;1-5-17-14-24-22(33-17)27-20-26-21(31-12-10-30(4)11-13-31)29-23(28-20)34-18-8-6-16(7-9-18)19(32)25-15(2)3;1-14(2)24-18(31)16-5-7-17(8-6-16)33-22-27-19(26-21-23-13-15(3)32-21)25-20(28-22)30-11-9-29(4)10-12-30/h4-12,17-18H,13-16H2,1-3H3,(H,29,36)(H,28,30,31,32,33);4-12,17H,3,13-16H2,1-2H3,(H,28,35)(H,27,29,30,31,32);3-11,16H,12-15H2,1-2H3,(H,27,34)(H,26,28,29,30,31);6-9,14-15H,5,10-13H2,1-4H3,(H,25,32)(H,24,26,27,28,29);5-8,13-14H,9-12H2,1-4H3,(H,24,31)(H,23,25,26,27,28)
• InChIKey: YZQIMKDWUCJYSB-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 495.85 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 50
• Rotatable Bonds: 38
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.43
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

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

The IUPAC name of 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide (CID 162059526) is 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide.

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

The canonical SMILES for 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide is CC(C)c1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(C(=O)NC(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(C(=O)NC(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(C(=O)Nc4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.

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

The InChIKey is YZQIMKDWUCJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8OS2.C26H28N8OS2.C25H26N8OS2.C23H30N8OS2.C22H28N8OS2/c1-18(2)22-17-28-26(38-22)31-24-30-25(35-15-13-34(3)14-16-35)33-27(32-24)37-21-11-9-19(10-12-21)23(36)29-20-7-5-4-6-8-20;1-3-20-17-27-25(36-20)30-23-29-24(34-15-13-33(2)14-16-34)32-26(31-23)37-21-11-9-18(10-12-21)22(35)28-19-7-5-4-6-8-19;1-17-16-26-24(35-17)29-22-28-23(33-14-12-32(2)13-15-33)31-25(30-22)36-20-10-8-18(9-11-20)21(34)27-19-6-4-3-5-7-19;1-5-17-14-24-22(33-17)27-20-26-21(31-12-10-30(4)11-13-31)29-23(28-20)34-18-8-6-16(7-9-18)19(32)25-15(2)3;1-14(2)24-18(31)16-5-7-17(8-6-16)33-22-27-19(26-21-23-13-15(3)32-21)25-20(28-22)30-11-9-29(4)10-12-30/h4-12,17-18H,13-16H2,1-3H3,(H,29,36)(H,28,30,31,32,33);4-12,17H,3,13-16H2,1-2H3,(H,28,35)(H,27,29,30,31,32);3-11,16H,12-15H2,1-2H3,(H,27,34)(H,26,28,29,30,31);6-9,14-15H,5,10-13H2,1-4H3,(H,25,32)(H,24,26,27,28,29);5-8,13-14H,9-12H2,1-4H3,(H,24,31)(H,23,25,26,27,28).

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

4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide has a molecular weight of 2581.43 g/mol, XLogP of 21.77, 38 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-phenylbenzamide;4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylbenzamide;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-phenylbenzamide is sourced from PubChem (CID 162059526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).