2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide

C189H196N64O13S9 — CID 158396522

IUPAC2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)c1.Cc1nc(Nc2ccc(N(C)C)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccc(O)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccccc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCCN(C)C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCN(C)C)n1
InChIInChI=1S/C23H24N8OS.3C22H21N7OS.C21H19N7O2S.C21H19N7OS.C20H25N7O2S.2C19H23N7O2S/c1-15-25-21(28-17-9-11-18(12-10-17)31(2)3)29-22(26-15)30-23-24-14-19(33-23)13-20(32)27-16-7-5-4-6-8-16;1-14-8-6-7-11-18(14)27-20-24-15(2)25-21(28-20)29-22-23-13-17(31-22)12-19(30)26-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-6-4-3-5-7-16;1-13-23-19(26-15-7-9-16(29)10-8-15)27-20(24-13)28-21-22-12-17(31-21)11-18(30)25-14-5-3-2-4-6-14;1-14-23-19(26-16-10-6-3-7-11-16)27-20(24-14)28-21-22-13-17(30-21)12-18(29)25-15-8-4-2-5-9-15;1-14-22-18(25-19(23-14)29-11-7-10-27(2)3)26-20-21-13-16(30-20)12-17(28)24-15-8-5-4-6-9-15;1-12(11-28-3)21-17-22-13(2)23-18(25-17)26-19-20-10-15(29-19)9-16(27)24-14-7-5-4-6-8-14;1-13-21-17(24-18(22-13)28-10-9-26(2)3)25-19-20-12-15(29-19)11-16(27)23-14-7-5-4-6-8-14/h4-12,14H,13H2,1-3H3,(H,27,32)(H2,24,25,26,28,29,30);3*3-11,13H,12H2,1-2H3,(H,26,30)(H2,23,24,25,27,28,29);2-10,12,29H,11H2,1H3,(H,25,30)(H2,22,23,24,26,27,28);2-11,13H,12H2,1H3,(H,25,29)(H2,22,23,24,26,27,28);4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-8,10,12H,9,11H2,1-3H3,(H,24,27)(H2,20,21,22,23,25,26);4-8,12H,9-11H2,1-3H3,(H,23,27)(H,20,21,22,24,25)
InChIKeyGXPKPOMCTDRAKP-UHFFFAOYSA-N
MW3860.68 g/mol
LogP34.93
Rot. Bonds71

About 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide

2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide (PubChem CID 158396522) has the molecular formula C189H196N64O13S9 and a molecular weight of 3860.68 g/mol. Its IUPAC name is 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
PubChem CID158396522
Molecular FormulaC189H196N64O13S9
Molecular Weight3860.68 g/mol
Exact Mass3857.41
IUPAC Name2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)c1.Cc1nc(Nc2ccc(N(C)C)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccc(O)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccccc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCCN(C)C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCN(C)C)n1
InChIInChI=1S/C23H24N8OS.3C22H21N7OS.C21H19N7O2S.C21H19N7OS.C20H25N7O2S.2C19H23N7O2S/c1-15-25-21(28-17-9-11-18(12-10-17)31(2)3)29-22(26-15)30-23-24-14-19(33-23)13-20(32)27-16-7-5-4-6-8-16;1-14-8-6-7-11-18(14)27-20-24-15(2)25-21(28-20)29-22-23-13-17(31-22)12-19(30)26-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-6-4-3-5-7-16;1-13-23-19(26-15-7-9-16(29)10-8-15)27-20(24-13)28-21-22-12-17(31-21)11-18(30)25-14-5-3-2-4-6-14;1-14-23-19(26-16-10-6-3-7-11-16)27-20(24-14)28-21-22-13-17(30-21)12-18(29)25-15-8-4-2-5-9-15;1-14-22-18(25-19(23-14)29-11-7-10-27(2)3)26-20-21-13-16(30-20)12-17(28)24-15-8-5-4-6-9-15;1-12(11-28-3)21-17-22-13(2)23-18(25-17)26-19-20-10-15(29-19)9-16(27)24-14-7-5-4-6-8-14;1-13-21-17(24-18(22-13)28-10-9-26(2)3)25-19-20-12-15(29-19)11-16(27)23-14-7-5-4-6-8-14/h4-12,14H,13H2,1-3H3,(H,27,32)(H2,24,25,26,28,29,30);3*3-11,13H,12H2,1-2H3,(H,26,30)(H2,23,24,25,27,28,29);2-10,12,29H,11H2,1H3,(H,25,30)(H2,22,23,24,26,27,28);2-11,13H,12H2,1H3,(H,25,29)(H2,22,23,24,26,27,28);4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-8,10,12H,9,11H2,1-3H3,(H,24,27)(H2,20,21,22,23,25,26);4-8,12H,9-11H2,1-3H3,(H,23,27)(H,20,21,22,24,25)
InChIKeyGXPKPOMCTDRAKP-UHFFFAOYSA-N
XLogP34.93
TPSA976.06 Ų
H-Bond Donors26
H-Bond Acceptors77
Rotatable Bonds71
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003860.68
LogP ≤ 534.93
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1077

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide 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-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide (CID 158396522) is 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide is COCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1ccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)cc1.Cc1cccc(Nc2nc(C)nc(Nc3ncc(CC(=O)Nc4ccccc4)s3)n2)c1.Cc1nc(Nc2ccc(N(C)C)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccc(O)cc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ccccc2)nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(Nc2ccccc2C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCCN(C)C)n1.Cc1nc(Nc2ncc(CC(=O)Nc3ccccc3)s2)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The InChIKey is GXPKPOMCTDRAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS.3C22H21N7OS.C21H19N7O2S.C21H19N7OS.C20H25N7O2S.2C19H23N7O2S/c1-15-25-21(28-17-9-11-18(12-10-17)31(2)3)29-22(26-15)30-23-24-14-19(33-23)13-20(32)27-16-7-5-4-6-8-16;1-14-8-6-7-11-18(14)27-20-24-15(2)25-21(28-20)29-22-23-13-17(31-22)12-19(30)26-16-9-4-3-5-10-16;1-14-7-6-10-17(11-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-8-4-3-5-9-16;1-14-8-10-17(11-9-14)27-20-24-15(2)25-21(28-20)29-22-23-13-18(31-22)12-19(30)26-16-6-4-3-5-7-16;1-13-23-19(26-15-7-9-16(29)10-8-15)27-20(24-13)28-21-22-12-17(31-21)11-18(30)25-14-5-3-2-4-6-14;1-14-23-19(26-16-10-6-3-7-11-16)27-20(24-14)28-21-22-13-17(30-21)12-18(29)25-15-8-4-2-5-9-15;1-14-22-18(25-19(23-14)29-11-7-10-27(2)3)26-20-21-13-16(30-20)12-17(28)24-15-8-5-4-6-9-15;1-12(11-28-3)21-17-22-13(2)23-18(25-17)26-19-20-10-15(29-19)9-16(27)24-14-7-5-4-6-8-14;1-13-21-17(24-18(22-13)28-10-9-26(2)3)25-19-20-12-15(29-19)11-16(27)23-14-7-5-4-6-8-14/h4-12,14H,13H2,1-3H3,(H,27,32)(H2,24,25,26,28,29,30);3*3-11,13H,12H2,1-2H3,(H,26,30)(H2,23,24,25,27,28,29);2-10,12,29H,11H2,1H3,(H,25,30)(H2,22,23,24,26,27,28);2-11,13H,12H2,1H3,(H,25,29)(H2,22,23,24,26,27,28);4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-8,10,12H,9,11H2,1-3H3,(H,24,27)(H2,20,21,22,23,25,26);4-8,12H,9-11H2,1-3H3,(H,23,27)(H,20,21,22,24,25).
What are the key properties of 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide has a molecular weight of 3860.68 g/mol, XLogP of 34.93, 71 rotatable bonds, 26 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[4-(dimethylamino)anilino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(4-hydroxyanilino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide;2-[2-[[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 158396522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).