2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C149H177N55O10S7 — CID 157455888

IUPAC2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(CCC#N)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H27N9OS.C23H27N9OS.C22H27N7O2S.C21H26N8OS.C20H26N8OS.C20H23N7O2S.C18H21N7O2S/c1-16-5-4-6-17(2)21(16)30-22(35)20-15-27-25(36-20)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)19-7-9-26-10-8-19;1-15-6-4-7-16(2)19(15)28-20(33)18-14-25-23(34-18)30-21-26-17(3)27-22(29-21)32-12-10-31(11-13-32)9-5-8-24;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4,6-7,14H,5,9-13H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeyBTIUIYJXUMIILR-UHFFFAOYSA-N
MW3122.90 g/mol
LogP22.68
Rot. Bonds44

About 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 157455888) has the molecular formula C149H177N55O10S7 and a molecular weight of 3122.90 g/mol. Its IUPAC name is 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-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-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID157455888
Molecular FormulaC149H177N55O10S7
Molecular Weight3122.90 g/mol
Exact Mass3120.31
IUPAC Name2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(CCC#N)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H27N9OS.C23H27N9OS.C22H27N7O2S.C21H26N8OS.C20H26N8OS.C20H23N7O2S.C18H21N7O2S/c1-16-5-4-6-17(2)21(16)30-22(35)20-15-27-25(36-20)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)19-7-9-26-10-8-19;1-15-6-4-7-16(2)19(15)28-20(33)18-14-25-23(34-18)30-21-26-17(3)27-22(29-21)32-12-10-31(11-13-32)9-5-8-24;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4,6-7,14H,5,9-13H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeyBTIUIYJXUMIILR-UHFFFAOYSA-N
XLogP22.68
TPSA788.42 Ų
H-Bond Donors18
H-Bond Acceptors65
Rotatable Bonds44
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003122.90
LogP ≤ 522.68
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1065

Analyze 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-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-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-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-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 157455888) is 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-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-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-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-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCC(CO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(CCC#N)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BTIUIYJXUMIILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9OS.C23H27N9OS.C22H27N7O2S.C21H26N8OS.C20H26N8OS.C20H23N7O2S.C18H21N7O2S/c1-16-5-4-6-17(2)21(16)30-22(35)20-15-27-25(36-20)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)19-7-9-26-10-8-19;1-15-6-4-7-16(2)19(15)28-20(33)18-14-25-23(34-18)30-21-26-17(3)27-22(29-21)32-12-10-31(11-13-32)9-5-8-24;1-13-5-4-6-14(2)18(13)26-19(31)17-11-23-22(32-17)28-20-24-15(3)25-21(27-20)29-9-7-16(12-30)8-10-29;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-5-4-6-13(2)16(12)24-17(28)15-11-21-20(30-15)26-18-22-14(3)23-19(25-18)27-7-9-29-10-8-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4,6-7,14H,5,9-13H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-6,11,16,30H,7-10,12H2,1-3H3,(H,26,31)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);4-6,11H,7-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25).
What are the key properties of 2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3122.90 g/mol, XLogP of 22.68, 44 rotatable bonds, 18 hydrogen bond donors, and 65 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-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).