2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C171H197F3N58O8S7 — CID 159736884

IUPAC2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C28H29F3N8OS.C27H31N9OS.C27H30N8OS.C26H29N9OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-4-22-33-25(37-27-32-16-21(41-27)24(40)35-23-17(2)7-5-8-18(23)3)36-26(34-22)39-13-11-38(12-14-39)20-10-6-9-19(15-20)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)17-20-8-10-28-11-9-20)34-27-29-16-21(38-27)24(37)32-23-18(2)6-5-7-19(23)3;1-4-22-29-25(32-26(30-22)35-15-13-34(14-16-35)20-11-6-5-7-12-20)33-27-28-17-21(37-27)24(36)31-23-18(2)9-8-10-19(23)3;1-4-20-29-24(32-25(30-20)35-14-12-34(13-15-35)21-10-5-6-11-27-21)33-26-28-16-19(37-26)23(36)31-22-17(2)8-7-9-18(22)3;1-4-15-24-19(27-20(25-15)29-9-8-22-16(30)11-29)28-21-23-10-14(32-21)18(31)26-17-12(2)6-5-7-13(17)3;1-4-16-24-19(27-20(25-16)29-10-8-22-9-11-29)28-21-23-12-15(31-21)18(30)26-17-13(2)6-5-7-14(17)3;1-6-16-24-19(22-10-11-29(4)5)27-20(25-16)28-21-23-12-15(31-21)18(30)26-17-13(2)8-7-9-14(17)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15,17H2,1-3H3,(H,32,37)(H,29,30,31,33,34);5-12,17H,4,13-16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-11,16H,4,12-15H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-7,10H,4,8-9,11H2,1-3H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);5-7,12,22H,4,8-11H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-9,12H,6,10-11H2,1-5H3,(H,26,30)(H2,22,23,24,25,27,28)
InChIKeyNBYLWCUBQIXLNP-UHFFFAOYSA-N
MW3474.32 g/mol
LogP27.95
Rot. Bonds50

About 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 159736884) has the molecular formula C171H197F3N58O8S7 and a molecular weight of 3474.32 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID159736884
Molecular FormulaC171H197F3N58O8S7
Molecular Weight3474.32 g/mol
Exact Mass3471.48
IUPAC Name2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C28H29F3N8OS.C27H31N9OS.C27H30N8OS.C26H29N9OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-4-22-33-25(37-27-32-16-21(41-27)24(40)35-23-17(2)7-5-8-18(23)3)36-26(34-22)39-13-11-38(12-14-39)20-10-6-9-19(15-20)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)17-20-8-10-28-11-9-20)34-27-29-16-21(38-27)24(37)32-23-18(2)6-5-7-19(23)3;1-4-22-29-25(32-26(30-22)35-15-13-34(14-16-35)20-11-6-5-7-12-20)33-27-28-17-21(37-27)24(36)31-23-18(2)9-8-10-19(23)3;1-4-20-29-24(32-25(30-20)35-14-12-34(13-15-35)21-10-5-6-11-27-21)33-26-28-16-19(37-26)23(36)31-22-17(2)8-7-9-18(22)3;1-4-15-24-19(27-20(25-15)29-9-8-22-16(30)11-29)28-21-23-10-14(32-21)18(31)26-17-12(2)6-5-7-13(17)3;1-4-16-24-19(27-20(25-16)29-10-8-22-9-11-29)28-21-23-12-15(31-21)18(30)26-17-13(2)6-5-7-14(17)3;1-6-16-24-19(22-10-11-29(4)5)27-20(25-16)28-21-23-12-15(31-21)18(30)26-17-13(2)8-7-9-14(17)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15,17H2,1-3H3,(H,32,37)(H,29,30,31,33,34);5-12,17H,4,13-16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-11,16H,4,12-15H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-7,10H,4,8-9,11H2,1-3H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);5-7,12,22H,4,8-11H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-9,12H,6,10-11H2,1-5H3,(H,26,30)(H2,22,23,24,25,27,28)
InChIKeyNBYLWCUBQIXLNP-UHFFFAOYSA-N
XLogP27.95
TPSA763.41 Ų
H-Bond Donors17
H-Bond Acceptors65
Rotatable Bonds50
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003474.32
LogP ≤ 527.95
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1065

Analyze 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 159736884) is 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-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 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNC(=O)C2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is NBYLWCUBQIXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8OS.C27H31N9OS.C27H30N8OS.C26H29N9OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-4-22-33-25(37-27-32-16-21(41-27)24(40)35-23-17(2)7-5-8-18(23)3)36-26(34-22)39-13-11-38(12-14-39)20-10-6-9-19(15-20)28(29,30)31;1-4-22-30-25(33-26(31-22)36-14-12-35(13-15-36)17-20-8-10-28-11-9-20)34-27-29-16-21(38-27)24(37)32-23-18(2)6-5-7-19(23)3;1-4-22-29-25(32-26(30-22)35-15-13-34(14-16-35)20-11-6-5-7-12-20)33-27-28-17-21(37-27)24(36)31-23-18(2)9-8-10-19(23)3;1-4-20-29-24(32-25(30-20)35-14-12-34(13-15-35)21-10-5-6-11-27-21)33-26-28-16-19(37-26)23(36)31-22-17(2)8-7-9-18(22)3;1-4-15-24-19(27-20(25-15)29-9-8-22-16(30)11-29)28-21-23-10-14(32-21)18(31)26-17-12(2)6-5-7-13(17)3;1-4-16-24-19(27-20(25-16)29-10-8-22-9-11-29)28-21-23-12-15(31-21)18(30)26-17-13(2)6-5-7-14(17)3;1-6-16-24-19(22-10-11-29(4)5)27-20(25-16)28-21-23-12-15(31-21)18(30)26-17-13(2)8-7-9-14(17)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,40)(H,32,33,34,36,37);5-11,16H,4,12-15,17H2,1-3H3,(H,32,37)(H,29,30,31,33,34);5-12,17H,4,13-16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-11,16H,4,12-15H2,1-3H3,(H,31,36)(H,28,29,30,32,33);5-7,10H,4,8-9,11H2,1-3H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);5-7,12,22H,4,8-11H2,1-3H3,(H,26,30)(H,23,24,25,27,28);7-9,12H,6,10-11H2,1-5H3,(H,26,30)(H2,22,23,24,25,27,28).
What are the key properties of 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-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 3474.32 g/mol, XLogP of 27.95, 50 rotatable bonds, 17 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-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-ethyl-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-ethyl-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 159736884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).