N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C142H156Cl6FN47O9S6 — CID 158354277

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C3CC3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccc(F)cc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(C3CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCn3ccnc3)nc(C3CC3)n2)s1
InChIInChI=1S/C27H26ClFN8OS.C24H29ClN8O2S.C24H29ClN8OS.C23H24ClN9OS.C23H26ClN7O2S.C21H22ClN7O2S/c1-16-3-2-4-20(28)22(16)31-24(38)21-15-30-27(39-21)35-25-32-23(17-5-6-17)33-26(34-25)37-13-11-36(12-14-37)19-9-7-18(29)8-10-19;1-15-4-2-5-17(25)19(15)28-21(34)18-14-27-24(36-18)32-23-30-20(16-6-7-16)29-22(31-23)26-8-3-9-33-10-12-35-13-11-33;1-3-9-32-10-12-33(13-11-32)23-29-20(16-7-8-16)28-22(30-23)31-24-26-14-18(35-24)21(34)27-19-15(2)5-4-6-17(19)25;1-14-4-2-5-16(24)18(14)28-20(34)17-12-27-23(35-17)32-22-30-19(15-6-7-15)29-21(31-22)26-8-3-10-33-11-9-25-13-33;1-13-3-2-4-16(24)18(13)26-20(33)17-11-25-23(34-17)30-21-27-19(15-5-6-15)28-22(29-21)31-9-7-14(12-32)8-10-31;1-12-3-2-4-14(22)16(12)24-18(30)15-11-23-21(32-15)28-19-25-17(13-5-6-13)26-20(27-19)29-7-9-31-10-8-29/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,31,38)(H,30,32,33,34,35);2,4-5,14,16H,3,6-13H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);4-6,14,16H,3,7-13H2,1-2H3,(H,27,34)(H,26,28,29,30,31);2,4-5,9,11-13,15H,3,6-8,10H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);2-4,11,14-15,32H,5-10,12H2,1H3,(H,26,33)(H,25,27,28,29,30);2-4,11,13H,5-10H2,1H3,(H,24,30)(H,23,25,26,27,28)
InChIKeyGSRNKHUJLJOMFS-UHFFFAOYSA-N
MW3089.25 g/mol
LogP27.86
Rot. Bonds48

About N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 158354277) has the molecular formula C142H156Cl6FN47O9S6 and a molecular weight of 3089.25 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID158354277
Molecular FormulaC142H156Cl6FN47O9S6
Molecular Weight3089.25 g/mol
Exact Mass3083.96
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C3CC3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccc(F)cc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(C3CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCn3ccnc3)nc(C3CC3)n2)s1
InChIInChI=1S/C27H26ClFN8OS.C24H29ClN8O2S.C24H29ClN8OS.C23H24ClN9OS.C23H26ClN7O2S.C21H22ClN7O2S/c1-16-3-2-4-20(28)22(16)31-24(38)21-15-30-27(39-21)35-25-32-23(17-5-6-17)33-26(34-25)37-13-11-36(12-14-37)19-9-7-18(29)8-10-19;1-15-4-2-5-17(25)19(15)28-21(34)18-14-27-24(36-18)32-23-30-20(16-6-7-16)29-22(31-23)26-8-3-9-33-10-12-35-13-11-33;1-3-9-32-10-12-33(13-11-32)23-29-20(16-7-8-16)28-22(30-23)31-24-26-14-18(35-24)21(34)27-19-15(2)5-4-6-17(19)25;1-14-4-2-5-16(24)18(14)28-20(34)17-12-27-23(35-17)32-22-30-19(15-6-7-15)29-21(31-22)26-8-3-10-33-11-9-25-13-33;1-13-3-2-4-16(24)18(13)26-20(33)17-11-25-23(34-17)30-21-27-19(15-5-6-15)28-22(29-21)31-9-7-14(12-32)8-10-31;1-12-3-2-4-14(22)16(12)24-18(30)15-11-23-21(32-15)28-19-25-17(13-5-6-13)26-20(27-19)29-7-9-31-10-8-29/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,31,38)(H,30,32,33,34,35);2,4-5,14,16H,3,6-13H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);4-6,14,16H,3,7-13H2,1-2H3,(H,27,34)(H,26,28,29,30,31);2,4-5,9,11-13,15H,3,6-8,10H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);2-4,11,14-15,32H,5-10,12H2,1H3,(H,26,33)(H,25,27,28,29,30);2-4,11,13H,5-10H2,1H3,(H,24,30)(H,23,25,26,27,28)
InChIKeyGSRNKHUJLJOMFS-UHFFFAOYSA-N
XLogP27.86
TPSA659.39 Ų
H-Bond Donors15
H-Bond Acceptors56
Rotatable Bonds48
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003089.25
LogP ≤ 527.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 158354277) is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is CCCN1CCN(c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C3CC3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccc(F)cc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(C3CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCn3ccnc3)nc(C3CC3)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is GSRNKHUJLJOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN8OS.C24H29ClN8O2S.C24H29ClN8OS.C23H24ClN9OS.C23H26ClN7O2S.C21H22ClN7O2S/c1-16-3-2-4-20(28)22(16)31-24(38)21-15-30-27(39-21)35-25-32-23(17-5-6-17)33-26(34-25)37-13-11-36(12-14-37)19-9-7-18(29)8-10-19;1-15-4-2-5-17(25)19(15)28-21(34)18-14-27-24(36-18)32-23-30-20(16-6-7-16)29-22(31-23)26-8-3-9-33-10-12-35-13-11-33;1-3-9-32-10-12-33(13-11-32)23-29-20(16-7-8-16)28-22(30-23)31-24-26-14-18(35-24)21(34)27-19-15(2)5-4-6-17(19)25;1-14-4-2-5-16(24)18(14)28-20(34)17-12-27-23(35-17)32-22-30-19(15-6-7-15)29-21(31-22)26-8-3-10-33-11-9-25-13-33;1-13-3-2-4-16(24)18(13)26-20(33)17-11-25-23(34-17)30-21-27-19(15-5-6-15)28-22(29-21)31-9-7-14(12-32)8-10-31;1-12-3-2-4-14(22)16(12)24-18(30)15-11-23-21(32-15)28-19-25-17(13-5-6-13)26-20(27-19)29-7-9-31-10-8-29/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,31,38)(H,30,32,33,34,35);2,4-5,14,16H,3,6-13H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);4-6,14,16H,3,7-13H2,1-2H3,(H,27,34)(H,26,28,29,30,31);2,4-5,9,11-13,15H,3,6-8,10H2,1H3,(H,28,34)(H2,26,27,29,30,31,32);2-4,11,14-15,32H,5-10,12H2,1H3,(H,26,33)(H,25,27,28,29,30);2-4,11,13H,5-10H2,1H3,(H,24,30)(H,23,25,26,27,28).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3089.25 g/mol, XLogP of 27.86, 48 rotatable bonds, 15 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158354277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).