2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide

C195H163Cl3F9N55O19S10 — CID 159147069

IUPAC2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)c(Cl)c2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(O)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Sc2ccccc2)n1
InChIInChI=1S/C23H22FN7O2S.C22H19FN6O3S.3C22H19FN6O2S.C21H15Cl2FN6O2S.C21H16ClFN6O2S.C21H17FN6O3S.C21H17FN6OS2/c1-14-26-21(29-22(27-14)33-18-9-7-17(8-10-18)31(2)3)30-23-25-13-19(34-23)12-20(32)28-16-6-4-5-15(24)11-16;1-13-25-20(28-21(26-13)32-17-8-6-16(31-2)7-9-17)29-22-24-12-18(33-22)11-19(30)27-15-5-3-4-14(23)10-15;1-13-5-3-8-17(9-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-7-4-6-15(23)10-16;1-13-6-3-4-9-18(13)31-21-26-14(2)25-20(28-21)29-22-24-12-17(32-22)11-19(30)27-16-8-5-7-15(23)10-16;1-13-6-8-17(9-7-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-5-3-4-15(23)10-16;1-11-26-19(29-20(27-11)32-14-5-6-16(22)17(23)8-14)30-21-25-10-15(33-21)9-18(31)28-13-4-2-3-12(24)7-13;1-12-25-19(28-20(26-12)31-16-7-5-13(22)6-8-16)29-21-24-11-17(32-21)10-18(30)27-15-4-2-3-14(23)9-15;1-12-24-19(27-20(25-12)31-16-7-5-15(29)6-8-16)28-21-23-11-17(32-21)10-18(30)26-14-4-2-3-13(22)9-14;1-13-24-19(28-21(25-13)30-16-8-3-2-4-9-16)27-20-23-12-17(31-20)11-18(29)26-15-7-5-6-14(22)10-15/h4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);3*3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,31)(H,25,26,27,29,30);2-9,11H,10H2,1H3,(H,27,30)(H,24,25,26,28,29);2-9,11,29H,10H2,1H3,(H,26,30)(H,23,24,25,27,28);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28)
InChIKeyKIUWNSJRDNRAHK-UHFFFAOYSA-N
MW4178.83 g/mol
LogP43.46
Rot. Bonds65

About 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide

2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide (PubChem CID 159147069) has the molecular formula C195H163Cl3F9N55O19S10 and a molecular weight of 4178.83 g/mol. Its IUPAC name is 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
PubChem CID159147069
Molecular FormulaC195H163Cl3F9N55O19S10
Molecular Weight4178.83 g/mol
Exact Mass4173.96
IUPAC Name2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)c(Cl)c2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(O)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Sc2ccccc2)n1
InChIInChI=1S/C23H22FN7O2S.C22H19FN6O3S.3C22H19FN6O2S.C21H15Cl2FN6O2S.C21H16ClFN6O2S.C21H17FN6O3S.C21H17FN6OS2/c1-14-26-21(29-22(27-14)33-18-9-7-17(8-10-18)31(2)3)30-23-25-13-19(34-23)12-20(32)28-16-6-4-5-15(24)11-16;1-13-25-20(28-21(26-13)32-17-8-6-16(31-2)7-9-17)29-22-24-12-18(33-22)11-19(30)27-15-5-3-4-14(23)10-15;1-13-5-3-8-17(9-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-7-4-6-15(23)10-16;1-13-6-3-4-9-18(13)31-21-26-14(2)25-20(28-21)29-22-24-12-17(32-22)11-19(30)27-16-8-5-7-15(23)10-16;1-13-6-8-17(9-7-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-5-3-4-15(23)10-16;1-11-26-19(29-20(27-11)32-14-5-6-16(22)17(23)8-14)30-21-25-10-15(33-21)9-18(31)28-13-4-2-3-12(24)7-13;1-12-25-19(28-20(26-12)31-16-7-5-13(22)6-8-16)29-21-24-11-17(32-21)10-18(30)27-15-4-2-3-14(23)9-15;1-12-24-19(27-20(25-12)31-16-7-5-15(29)6-8-16)28-21-23-11-17(32-21)10-18(30)26-14-4-2-3-13(22)9-14;1-13-24-19(28-21(25-13)30-16-8-3-2-4-9-16)27-20-23-12-17(31-20)11-18(29)26-15-7-5-6-14(22)10-15/h4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);3*3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,31)(H,25,26,27,29,30);2-9,11H,10H2,1H3,(H,27,30)(H,24,25,26,28,29);2-9,11,29H,10H2,1H3,(H,26,30)(H,23,24,25,27,28);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28)
InChIKeyKIUWNSJRDNRAHK-UHFFFAOYSA-N
XLogP43.46
TPSA940.75 Ų
H-Bond Donors19
H-Bond Acceptors75
Rotatable Bonds65
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004178.83
LogP ≤ 543.46
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1075

Analyze 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide (CID 159147069) is 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide is COc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(Oc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)c(Cl)c2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(Cl)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccc(O)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Sc2ccccc2)n1.
What is the InChIKey of 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is KIUWNSJRDNRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2S.C22H19FN6O3S.3C22H19FN6O2S.C21H15Cl2FN6O2S.C21H16ClFN6O2S.C21H17FN6O3S.C21H17FN6OS2/c1-14-26-21(29-22(27-14)33-18-9-7-17(8-10-18)31(2)3)30-23-25-13-19(34-23)12-20(32)28-16-6-4-5-15(24)11-16;1-13-25-20(28-21(26-13)32-17-8-6-16(31-2)7-9-17)29-22-24-12-18(33-22)11-19(30)27-15-5-3-4-14(23)10-15;1-13-5-3-8-17(9-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-7-4-6-15(23)10-16;1-13-6-3-4-9-18(13)31-21-26-14(2)25-20(28-21)29-22-24-12-17(32-22)11-19(30)27-16-8-5-7-15(23)10-16;1-13-6-8-17(9-7-13)31-21-26-14(2)25-20(28-21)29-22-24-12-18(32-22)11-19(30)27-16-5-3-4-15(23)10-16;1-11-26-19(29-20(27-11)32-14-5-6-16(22)17(23)8-14)30-21-25-10-15(33-21)9-18(31)28-13-4-2-3-12(24)7-13;1-12-25-19(28-20(26-12)31-16-7-5-13(22)6-8-16)29-21-24-11-17(32-21)10-18(30)27-15-4-2-3-14(23)9-15;1-12-24-19(27-20(25-12)31-16-7-5-15(29)6-8-16)28-21-23-11-17(32-21)10-18(30)26-14-4-2-3-13(22)9-14;1-13-24-19(28-21(25-13)30-16-8-3-2-4-9-16)27-20-23-12-17(31-20)11-18(29)26-15-7-5-6-14(22)10-15/h4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);3*3-10,12H,11H2,1-2H3,(H,27,30)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,31)(H,25,26,27,29,30);2-9,11H,10H2,1H3,(H,27,30)(H,24,25,26,28,29);2-9,11,29H,10H2,1H3,(H,26,30)(H,23,24,25,27,28);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28).
What are the key properties of 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 4178.83 g/mol, XLogP of 43.46, 65 rotatable bonds, 19 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-chlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichlorophenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)phenoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-hydroxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(4-methoxyphenoxy)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 159147069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).