N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
C144H157F3N50O7S6 — CID 158823390
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H22N8O2S.C20H24N8OS/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-11-5-4-6-12(2)16(11)25-17(30)14-9-22-20(31-14)27-18-23-13(3)24-19(26-18)28-8-7-21-15(29)10-28;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,9H,7-8,10H2,1-3H3,(H,21,29)(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27)
InChIKeyIWDOSVLBTCMDDB-UHFFFAOYSA-N
MW2949.58 g/mol
LogP22.95
Rot. Bonds35
About N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 158823390) has the molecular formula C144H157F3N50O7S6 and a molecular weight of 2949.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
Molecular Properties
| Compound Name | N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 158823390 |
| Molecular Formula | C144H157F3N50O7S6 |
| Molecular Weight | 2949.58 g/mol |
| Exact Mass | 2947.17 |
| IUPAC Name | N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide |
| SMILES | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1 |
| InChI | InChI=1S/C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H22N8O2S.C20H24N8OS/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-11-5-4-6-12(2)16(11)25-17(30)14-9-22-20(31-14)27-18-23-13(3)24-19(26-18)28-8-7-21-15(29)10-28;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,9H,7-8,10H2,1-3H3,(H,21,29)(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27) |
| InChIKey | IWDOSVLBTCMDDB-UHFFFAOYSA-N |
| XLogP | 22.95 |
| TPSA | 655.45 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 210 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2949.58 |
| LogP ≤ 5 | 22.95 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 56 |
Frequently Asked Questions
What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 158823390) is N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is IWDOSVLBTCMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H22N8O2S.C20H24N8OS/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-11-5-4-6-12(2)16(11)25-17(30)14-9-22-20(31-14)27-18-23-13(3)24-19(26-18)28-8-7-21-15(29)10-28;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,9H,7-8,10H2,1-3H3,(H,21,29)(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 2949.58 g/mol, XLogP of 22.95, 35 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158823390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158823390 — identifiers, structure, computed properties (public domain)
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