2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide

C200H181Cl3F9N63O11S9 — CID 157173084

IUPAC2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ccc(Cl)cc2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2)n1
InChIInChI=1S/C24H25FN8OS.3C23H22FN7OS.C22H20FN7O2S.C22H20FN7OS.C21H16Cl2FN7OS.C21H17ClFN7OS.C21H17FN6O2S/c1-15-27-22(30-23(28-15)33(4)19-10-8-18(9-11-19)32(2)3)31-24-26-14-20(35-24)13-21(34)29-17-7-5-6-16(25)12-17;1-14-6-4-9-18(10-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-8-5-7-16(24)11-17;1-14-7-4-5-10-19(14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-18(33-23)12-20(32)28-17-9-6-8-16(24)11-17;1-14-7-9-18(10-8-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-6-4-5-16(24)11-17;1-13-25-20(28-15-6-8-17(32-2)9-7-15)29-21(26-13)30-22-24-12-18(33-22)11-19(31)27-16-5-3-4-14(23)10-16;1-14-25-20(28-21(26-14)30(2)17-9-4-3-5-10-17)29-22-24-13-18(32-22)12-19(31)27-16-8-6-7-15(23)11-16;1-11-26-19(29-14-5-6-16(22)17(23)8-14)30-20(27-11)31-21-25-10-15(33-21)9-18(32)28-13-4-2-3-12(24)7-13;1-12-25-19(28-15-7-5-13(22)6-8-15)29-20(26-12)30-21-24-11-17(32-21)10-18(31)27-16-4-2-3-14(23)9-16;1-13-24-19(27-20(25-13)30-16-8-3-2-4-9-16)28-21-23-12-17(31-21)11-18(29)26-15-7-5-6-14(22)10-15/h5-12,14H,13H2,1-4H3,(H,29,34)(H,26,27,28,30,31);3*4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,31)(H2,24,25,26,28,29,30);3-11,13H,12H2,1-2H3,(H,27,31)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,32)(H2,25,26,27,29,30,31);2-9,11H,10H2,1H3,(H,27,31)(H2,24,25,26,28,29,30);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28)
InChIKeyANRSZAAHXQGAPW-UHFFFAOYSA-N
MW4209.02 g/mol
LogP43.13
Rot. Bonds65

About 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide

2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide (PubChem CID 157173084) has the molecular formula C200H181Cl3F9N63O11S9 and a molecular weight of 4209.02 g/mol. Its IUPAC name is 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
PubChem CID157173084
Molecular FormulaC200H181Cl3F9N63O11S9
Molecular Weight4209.02 g/mol
Exact Mass4204.19
IUPAC Name2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ccc(Cl)cc2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2)n1
InChIInChI=1S/C24H25FN8OS.3C23H22FN7OS.C22H20FN7O2S.C22H20FN7OS.C21H16Cl2FN7OS.C21H17ClFN7OS.C21H17FN6O2S/c1-15-27-22(30-23(28-15)33(4)19-10-8-18(9-11-19)32(2)3)31-24-26-14-20(35-24)13-21(34)29-17-7-5-6-16(25)12-17;1-14-6-4-9-18(10-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-8-5-7-16(24)11-17;1-14-7-4-5-10-19(14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-18(33-23)12-20(32)28-17-9-6-8-16(24)11-17;1-14-7-9-18(10-8-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-6-4-5-16(24)11-17;1-13-25-20(28-15-6-8-17(32-2)9-7-15)29-21(26-13)30-22-24-12-18(33-22)11-19(31)27-16-5-3-4-14(23)10-16;1-14-25-20(28-21(26-14)30(2)17-9-4-3-5-10-17)29-22-24-13-18(32-22)12-19(31)27-16-8-6-7-15(23)11-16;1-11-26-19(29-14-5-6-16(22)17(23)8-14)30-20(27-11)31-21-25-10-15(33-21)9-18(32)28-13-4-2-3-12(24)7-13;1-12-25-19(28-15-7-5-13(22)6-8-15)29-20(26-12)30-21-24-11-17(32-21)10-18(31)27-16-4-2-3-14(23)9-16;1-13-24-19(27-20(25-13)30-16-8-3-2-4-9-16)28-21-23-12-17(31-21)11-18(29)26-15-7-5-6-14(22)10-15/h5-12,14H,13H2,1-4H3,(H,29,34)(H,26,27,28,30,31);3*4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,31)(H2,24,25,26,28,29,30);3-11,13H,12H2,1-2H3,(H,27,31)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,32)(H2,25,26,27,29,30,31);2-9,11H,10H2,1H3,(H,27,31)(H2,24,25,26,28,29,30);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28)
InChIKeyANRSZAAHXQGAPW-UHFFFAOYSA-N
XLogP43.13
TPSA908.20 Ų
H-Bond Donors21
H-Bond Acceptors74
Rotatable Bonds65
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004209.02
LogP ≤ 543.13
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1074

Analyze 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide (CID 157173084) is 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide is COc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1ccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)cc1.Cc1cccc(N(C)c2nc(C)nc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)c1.Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ccc(Cl)cc2)nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccc(N(C)C)cc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(N(C)c2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is ANRSZAAHXQGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8OS.3C23H22FN7OS.C22H20FN7O2S.C22H20FN7OS.C21H16Cl2FN7OS.C21H17ClFN7OS.C21H17FN6O2S/c1-15-27-22(30-23(28-15)33(4)19-10-8-18(9-11-19)32(2)3)31-24-26-14-20(35-24)13-21(34)29-17-7-5-6-16(25)12-17;1-14-6-4-9-18(10-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-8-5-7-16(24)11-17;1-14-7-4-5-10-19(14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-18(33-23)12-20(32)28-17-9-6-8-16(24)11-17;1-14-7-9-18(10-8-14)31(3)22-27-15(2)26-21(29-22)30-23-25-13-19(33-23)12-20(32)28-17-6-4-5-16(24)11-17;1-13-25-20(28-15-6-8-17(32-2)9-7-15)29-21(26-13)30-22-24-12-18(33-22)11-19(31)27-16-5-3-4-14(23)10-16;1-14-25-20(28-21(26-14)30(2)17-9-4-3-5-10-17)29-22-24-13-18(32-22)12-19(31)27-16-8-6-7-15(23)11-16;1-11-26-19(29-14-5-6-16(22)17(23)8-14)30-20(27-11)31-21-25-10-15(33-21)9-18(32)28-13-4-2-3-12(24)7-13;1-12-25-19(28-15-7-5-13(22)6-8-15)29-20(26-12)30-21-24-11-17(32-21)10-18(31)27-16-4-2-3-14(23)9-16;1-13-24-19(27-20(25-13)30-16-8-3-2-4-9-16)28-21-23-12-17(31-21)11-18(29)26-15-7-5-6-14(22)10-15/h5-12,14H,13H2,1-4H3,(H,29,34)(H,26,27,28,30,31);3*4-11,13H,12H2,1-3H3,(H,28,32)(H,25,26,27,29,30);3-10,12H,11H2,1-2H3,(H,27,31)(H2,24,25,26,28,29,30);3-11,13H,12H2,1-2H3,(H,27,31)(H,24,25,26,28,29);2-8,10H,9H2,1H3,(H,28,32)(H2,25,26,27,29,30,31);2-9,11H,10H2,1H3,(H,27,31)(H2,24,25,26,28,29,30);2-10,12H,11H2,1H3,(H,26,29)(H,23,24,25,27,28).
What are the key properties of 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide?
2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 4209.02 g/mol, XLogP of 43.13, 65 rotatable bonds, 21 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-chloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(3,4-dichloroanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[4-(dimethylamino)-N-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,2-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,3-dimethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-(N,4-dimethylanilino)-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-methoxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-methyl-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[(4-methyl-6-phenoxy-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 157173084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).