2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

C179H230F5N77O12S10 — CID 158283272

IUPAC2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCCNC(=O)Cc1cnc(Nc2nc(C)nc(N3CCN(C)CC3)n2)s1.CN(C)CCCOc1ncnc(Nc2ncc(CC(=O)NCc3ccc(F)cc3)s2)n1.CN(C)CCN(C)c1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.CN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1.COCC(C)Nc1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC(C)C)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC3CC3)s2)n1.Cc1nc(Nc2ncc(CC(=O)NC(C)C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(CC(=O)NC3CC3)s2)nc(N2CCN(C)CC2)n1.O=C(Cc1cnc(Nc2ncnc(Nc3ccccc3)n2)s1)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN8OS.C20H24FN7O2S.C20H16FN7OS.C19H23FN8OS.C18H20FN7O2S.C17H24N8OS.C17H26N8OS.2C16H24N8OS.C16H26N8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14;1-28(2)8-3-9-30-19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(29)22-11-14-4-6-15(21)7-5-14;21-13-5-4-8-15(9-13)25-17(29)10-16-11-22-20(30-16)28-19-24-12-23-18(27-19)26-14-6-2-1-3-7-14;1-27(2)7-8-28(3)18-23-12-22-17(25-18)26-19-21-11-15(30-19)10-16(29)24-14-6-4-5-13(20)9-14;1-11(9-28-2)23-16-21-10-22-17(25-16)26-18-20-8-14(29-18)7-15(27)24-13-5-3-4-12(19)6-13;1-11-19-15(22-16(20-11)25-7-5-24(2)6-8-25)23-17-18-10-13(27-17)9-14(26)21-12-3-4-12;1-11(2)19-14(26)9-13-10-18-17(27-13)23-15-20-12(3)21-16(22-15)25-7-5-24(4)6-8-25;1-10-19-14(17-6-7-24(2)3)22-15(20-10)23-16-18-9-12(26-16)8-13(25)21-11-4-5-11;1-4-17-13(25)9-12-10-18-16(26-12)22-14-19-11(2)20-15(21-14)24-7-5-23(3)6-8-24;1-10(2)19-13(25)8-12-9-18-16(26-12)23-15-21-11(3)20-14(22-15)17-6-7-24(4)5/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27);4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H,23,24,25,26,27);1-9,11-12H,10H2,(H,25,29)(H2,22,23,24,26,27,28);4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,29)(H,21,22,23,25,26);3-6,8,10-11H,7,9H2,1-2H3,(H,24,27)(H2,20,21,22,23,25,26);10,12H,3-9H2,1-2H3,(H,21,26)(H,18,19,20,22,23);10-11H,5-9H2,1-4H3,(H,19,26)(H,18,20,21,22,23);9,11H,4-8H2,1-3H3,(H,21,25)(H2,17,18,19,20,22,23);10H,4-9H2,1-3H3,(H,17,25)(H,18,19,20,21,22);9-10H,6-8H2,1-5H3,(H,19,25)(H2,17,18,20,21,22,23)
InChIKeyGKLQMRWDWGWIBT-UHFFFAOYSA-N
MW4068.00 g/mol
LogP19.14
Rot. Bonds79

About 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (PubChem CID 158283272) has the molecular formula C179H230F5N77O12S10 and a molecular weight of 4068.00 g/mol. Its IUPAC name is 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
PubChem CID158283272
Molecular FormulaC179H230F5N77O12S10
Molecular Weight4068.00 g/mol
Exact Mass4064.69
IUPAC Name2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCCNC(=O)Cc1cnc(Nc2nc(C)nc(N3CCN(C)CC3)n2)s1.CN(C)CCCOc1ncnc(Nc2ncc(CC(=O)NCc3ccc(F)cc3)s2)n1.CN(C)CCN(C)c1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.CN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1.COCC(C)Nc1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC(C)C)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC3CC3)s2)n1.Cc1nc(Nc2ncc(CC(=O)NC(C)C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(CC(=O)NC3CC3)s2)nc(N2CCN(C)CC2)n1.O=C(Cc1cnc(Nc2ncnc(Nc3ccccc3)n2)s1)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN8OS.C20H24FN7O2S.C20H16FN7OS.C19H23FN8OS.C18H20FN7O2S.C17H24N8OS.C17H26N8OS.2C16H24N8OS.C16H26N8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14;1-28(2)8-3-9-30-19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(29)22-11-14-4-6-15(21)7-5-14;21-13-5-4-8-15(9-13)25-17(29)10-16-11-22-20(30-16)28-19-24-12-23-18(27-19)26-14-6-2-1-3-7-14;1-27(2)7-8-28(3)18-23-12-22-17(25-18)26-19-21-11-15(30-19)10-16(29)24-14-6-4-5-13(20)9-14;1-11(9-28-2)23-16-21-10-22-17(25-16)26-18-20-8-14(29-18)7-15(27)24-13-5-3-4-12(19)6-13;1-11-19-15(22-16(20-11)25-7-5-24(2)6-8-25)23-17-18-10-13(27-17)9-14(26)21-12-3-4-12;1-11(2)19-14(26)9-13-10-18-17(27-13)23-15-20-12(3)21-16(22-15)25-7-5-24(4)6-8-25;1-10-19-14(17-6-7-24(2)3)22-15(20-10)23-16-18-9-12(26-16)8-13(25)21-11-4-5-11;1-4-17-13(25)9-12-10-18-16(26-12)22-14-19-11(2)20-15(21-14)24-7-5-23(3)6-8-24;1-10(2)19-13(25)8-12-9-18-16(26-12)23-15-21-11(3)20-14(22-15)17-6-7-24(4)5/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27);4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H,23,24,25,26,27);1-9,11-12H,10H2,(H,25,29)(H2,22,23,24,26,27,28);4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,29)(H,21,22,23,25,26);3-6,8,10-11H,7,9H2,1-2H3,(H,24,27)(H2,20,21,22,23,25,26);10,12H,3-9H2,1-2H3,(H,21,26)(H,18,19,20,22,23);10-11H,5-9H2,1-4H3,(H,19,26)(H,18,20,21,22,23);9,11H,4-8H2,1-3H3,(H,21,25)(H2,17,18,19,20,22,23);10H,4-9H2,1-3H3,(H,17,25)(H,18,19,20,21,22);9-10H,6-8H2,1-5H3,(H,19,25)(H2,17,18,20,21,22,23)
InChIKeyGKLQMRWDWGWIBT-UHFFFAOYSA-N
XLogP19.14
TPSA1035.60 Ų
H-Bond Donors24
H-Bond Acceptors89
Rotatable Bonds79
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004068.00
LogP ≤ 519.14
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1089

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide with MolForge

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What is the IUPAC name of 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (CID 158283272) is 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is CCNC(=O)Cc1cnc(Nc2nc(C)nc(N3CCN(C)CC3)n2)s1.CN(C)CCCOc1ncnc(Nc2ncc(CC(=O)NCc3ccc(F)cc3)s2)n1.CN(C)CCN(C)c1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.CN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1.COCC(C)Nc1ncnc(Nc2ncc(CC(=O)Nc3cccc(F)c3)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC(C)C)s2)n1.Cc1nc(NCCN(C)C)nc(Nc2ncc(CC(=O)NC3CC3)s2)n1.Cc1nc(Nc2ncc(CC(=O)NC(C)C)s2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(CC(=O)NC3CC3)s2)nc(N2CCN(C)CC2)n1.O=C(Cc1cnc(Nc2ncnc(Nc3ccccc3)n2)s1)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The InChIKey is GKLQMRWDWGWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8OS.C20H24FN7O2S.C20H16FN7OS.C19H23FN8OS.C18H20FN7O2S.C17H24N8OS.C17H26N8OS.2C16H24N8OS.C16H26N8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14;1-28(2)8-3-9-30-19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(29)22-11-14-4-6-15(21)7-5-14;21-13-5-4-8-15(9-13)25-17(29)10-16-11-22-20(30-16)28-19-24-12-23-18(27-19)26-14-6-2-1-3-7-14;1-27(2)7-8-28(3)18-23-12-22-17(25-18)26-19-21-11-15(30-19)10-16(29)24-14-6-4-5-13(20)9-14;1-11(9-28-2)23-16-21-10-22-17(25-16)26-18-20-8-14(29-18)7-15(27)24-13-5-3-4-12(19)6-13;1-11-19-15(22-16(20-11)25-7-5-24(2)6-8-25)23-17-18-10-13(27-17)9-14(26)21-12-3-4-12;1-11(2)19-14(26)9-13-10-18-17(27-13)23-15-20-12(3)21-16(22-15)25-7-5-24(4)6-8-25;1-10-19-14(17-6-7-24(2)3)22-15(20-10)23-16-18-9-12(26-16)8-13(25)21-11-4-5-11;1-4-17-13(25)9-12-10-18-16(26-12)22-14-19-11(2)20-15(21-14)24-7-5-23(3)6-8-24;1-10(2)19-13(25)8-12-9-18-16(26-12)23-15-21-11(3)20-14(22-15)17-6-7-24(4)5/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27);4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H,23,24,25,26,27);1-9,11-12H,10H2,(H,25,29)(H2,22,23,24,26,27,28);4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,29)(H,21,22,23,25,26);3-6,8,10-11H,7,9H2,1-2H3,(H,24,27)(H2,20,21,22,23,25,26);10,12H,3-9H2,1-2H3,(H,21,26)(H,18,19,20,22,23);10-11H,5-9H2,1-4H3,(H,19,26)(H,18,20,21,22,23);9,11H,4-8H2,1-3H3,(H,21,25)(H2,17,18,19,20,22,23);10H,4-9H2,1-3H3,(H,17,25)(H,18,19,20,21,22);9-10H,6-8H2,1-5H3,(H,19,25)(H2,17,18,20,21,22,23).
What are the key properties of 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 4068.00 g/mol, XLogP of 19.14, 79 rotatable bonds, 24 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-anilino-1,3,5-triazin-2-yl)amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;N-cyclopropyl-2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-cyclopropyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide;2-[2-[[4-[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[2-[[4-[3-(dimethylamino)propoxy]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-[(4-fluorophenyl)methyl]acetamide;N-ethyl-2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-(3-fluorophenyl)-2-[2-[[4-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide;2-[2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 158283272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).