2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

C162H195N59O8S7 — CID 157418917

IUPAC2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCC#N)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(Cc5ccncc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNC(=O)C4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)s2)c(C)c1
InChIInChI=1S/C27H31N9OS.C26H29N9OS.C24H29N9OS.C22H28N8OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-17-13-18(2)23(19(3)14-17)32-24(37)22-15-29-27(38-22)34-25-30-20(4)31-26(33-25)36-11-9-35(10-12-36)16-21-5-7-28-8-6-21;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-12-16(2)20(17(3)13-15)29-21(34)19-14-26-24(35-19)31-22-27-18(4)28-23(30-22)33-10-8-32(9-11-33)7-5-6-25;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-11-7-12(2)17(13(3)8-11)26-18(31)15-9-23-21(32-15)28-19-24-14(4)25-20(27-19)29-6-5-22-16(30)10-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6/h5-8,13-15H,9-12,16H2,1-4H3,(H,32,37)(H,29,30,31,33,34);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);12-14H,5,7-11H2,1-4H3,(H,29,34)(H,26,27,28,30,31);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);7-9H,5-6,10H2,1-4H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28)
InChIKeyBPEHWMGLBYQLRD-UHFFFAOYSA-N
MW3321.22 g/mol
LogP24.45
Rot. Bonds43

About 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 157418917) has the molecular formula C162H195N59O8S7 and a molecular weight of 3321.22 g/mol. Its IUPAC name is 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID157418917
Molecular FormulaC162H195N59O8S7
Molecular Weight3321.22 g/mol
Exact Mass3318.47
IUPAC Name2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCC#N)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(Cc5ccncc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNC(=O)C4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)s2)c(C)c1
InChIInChI=1S/C27H31N9OS.C26H29N9OS.C24H29N9OS.C22H28N8OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-17-13-18(2)23(19(3)14-17)32-24(37)22-15-29-27(38-22)34-25-30-20(4)31-26(33-25)36-11-9-35(10-12-36)16-21-5-7-28-8-6-21;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-12-16(2)20(17(3)13-15)29-21(34)19-14-26-24(35-19)31-22-27-18(4)28-23(30-22)33-10-8-32(9-11-33)7-5-6-25;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-11-7-12(2)17(13(3)8-11)26-18(31)15-9-23-21(32-15)28-19-24-14(4)25-20(27-19)29-6-5-22-16(30)10-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6/h5-8,13-15H,9-12,16H2,1-4H3,(H,32,37)(H,29,30,31,33,34);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);12-14H,5,7-11H2,1-4H3,(H,29,34)(H,26,27,28,30,31);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);7-9H,5-6,10H2,1-4H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28)
InChIKeyBPEHWMGLBYQLRD-UHFFFAOYSA-N
XLogP24.45
TPSA787.20 Ų
H-Bond Donors17
H-Bond Acceptors66
Rotatable Bonds43
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003321.22
LogP ≤ 524.45
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1066

Analyze 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 157418917) is 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(CCC#N)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(Cc5ccncc5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5ccccn5)CC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNC(=O)C4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCNCC4)n3)s2)c(C)c1.Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(NCCN(C)C)n3)s2)c(C)c1.
What is the InChIKey of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BPEHWMGLBYQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9OS.C26H29N9OS.C24H29N9OS.C22H28N8OS.C21H24N8O2S.C21H26N8OS.C21H28N8OS/c1-17-13-18(2)23(19(3)14-17)32-24(37)22-15-29-27(38-22)34-25-30-20(4)31-26(33-25)36-11-9-35(10-12-36)16-21-5-7-28-8-6-21;1-16-13-17(2)22(18(3)14-16)31-23(36)20-15-28-26(37-20)33-24-29-19(4)30-25(32-24)35-11-9-34(10-12-35)21-7-5-6-8-27-21;1-15-12-16(2)20(17(3)13-15)29-21(34)19-14-26-24(35-19)31-22-27-18(4)28-23(30-22)33-10-8-32(9-11-33)7-5-6-25;1-13-10-14(2)18(15(3)11-13)26-19(31)17-12-23-22(32-17)28-20-24-16(4)25-21(27-20)30-8-6-29(5)7-9-30;1-11-7-12(2)17(13(3)8-11)26-18(31)15-9-23-21(32-15)28-19-24-14(4)25-20(27-19)29-6-5-22-16(30)10-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-19-24-15(4)25-20(27-19)29-7-5-22-6-8-29;1-12-9-13(2)17(14(3)10-12)26-18(30)16-11-23-21(31-16)28-20-25-15(4)24-19(27-20)22-7-8-29(5)6/h5-8,13-15H,9-12,16H2,1-4H3,(H,32,37)(H,29,30,31,33,34);5-8,13-15H,9-12H2,1-4H3,(H,31,36)(H,28,29,30,32,33);12-14H,5,7-11H2,1-4H3,(H,29,34)(H,26,27,28,30,31);10-12H,6-9H2,1-5H3,(H,26,31)(H,23,24,25,27,28);7-9H,5-6,10H2,1-4H3,(H,22,30)(H,26,31)(H,23,24,25,27,28);9-11,22H,5-8H2,1-4H3,(H,26,30)(H,23,24,25,27,28);9-11H,7-8H2,1-6H3,(H,26,30)(H2,22,23,24,25,27,28).
What are the key properties of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 3321.22 g/mol, XLogP of 24.45, 43 rotatable bonds, 17 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157418917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).