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-(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
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-(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 160844323) has the molecular formula C147H174N48O6S12
and a molecular weight of 3094.14 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;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.
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;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 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-(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 160844323) 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;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 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-(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 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-(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(C)NC(=O)c1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.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;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 SILFALJRISCVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8OS2.C26H28N8OS2.C25H26N8OS2.C24H32N8OS2.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;1-15(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;1-5-17-14-24-22(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);6-9,14-16H,10-13H2,1-5H3,(H,26,33)(H,25,27,28,29,30);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-(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?
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-(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 3094.14 g/mol, XLogP of 26.01, 46 rotatable bonds, 12 hydrogen bond donors, and 60 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;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 160844323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).