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

C143H179Cl6N47O9S6 — CID 162129961

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(CC(C)C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCN3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCn3ccnc3)n2)s1
InChIInChI=1S/C25H33ClN8O2S.C25H33ClN8OS.C24H28ClN9OS.C24H30ClN7O2S.C23H29ClN8OS.C22H26ClN7O2S/c1-16(2)14-20-29-23(27-8-5-9-34-10-12-36-13-11-34)32-24(30-20)33-25-28-15-19(37-25)22(35)31-21-17(3)6-4-7-18(21)26;1-5-9-33-10-12-34(13-11-33)24-29-20(14-16(2)3)28-23(31-24)32-25-27-15-19(36-25)22(35)30-21-17(4)7-6-8-18(21)26;1-15(2)12-19-29-22(27-8-5-10-34-11-9-26-14-34)32-23(30-19)33-24-28-13-18(36-24)21(35)31-20-16(3)6-4-7-17(20)25;1-14(2)11-19-27-22(30-23(28-19)32-9-7-16(13-33)8-10-32)31-24-26-12-18(35-24)21(34)29-20-15(3)5-4-6-17(20)25;1-14(2)12-18-26-21(29-22(27-18)32-10-8-31(4)9-11-32)30-23-25-13-17(34-23)20(33)28-19-15(3)6-5-7-16(19)24;1-13(2)11-17-25-20(28-21(26-17)30-7-9-32-10-8-30)29-22-24-12-16(33-22)19(31)27-18-14(3)5-4-6-15(18)23/h4,6-7,15-16H,5,8-14H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);6-8,15-16H,5,9-14H2,1-4H3,(H,30,35)(H,27,28,29,31,32);4,6-7,9,11,13-15H,5,8,10,12H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);4-6,12,14,16,33H,7-11,13H2,1-3H3,(H,29,34)(H,26,27,28,30,31);5-7,13-14H,8-12H2,1-4H3,(H,28,33)(H,25,26,27,29,30);4-6,12-13H,7-11H2,1-3H3,(H,27,31)(H,24,25,26,28,29)
InChIKeyZINMFNROXAWLHJ-UHFFFAOYSA-N
MW3105.44 g/mol
LogP28.07
Rot. Bonds53

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

N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 162129961) has the molecular formula C143H179Cl6N47O9S6 and a molecular weight of 3105.44 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID162129961
Molecular FormulaC143H179Cl6N47O9S6
Molecular Weight3105.44 g/mol
Exact Mass3100.14
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCCCN1CCN(c2nc(CC(C)C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCN3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCn3ccnc3)n2)s1
InChIInChI=1S/C25H33ClN8O2S.C25H33ClN8OS.C24H28ClN9OS.C24H30ClN7O2S.C23H29ClN8OS.C22H26ClN7O2S/c1-16(2)14-20-29-23(27-8-5-9-34-10-12-36-13-11-34)32-24(30-20)33-25-28-15-19(37-25)22(35)31-21-17(3)6-4-7-18(21)26;1-5-9-33-10-12-34(13-11-33)24-29-20(14-16(2)3)28-23(31-24)32-25-27-15-19(36-25)22(35)30-21-17(4)7-6-8-18(21)26;1-15(2)12-19-29-22(27-8-5-10-34-11-9-26-14-34)32-23(30-19)33-24-28-13-18(36-24)21(35)31-20-16(3)6-4-7-17(20)25;1-14(2)11-19-27-22(30-23(28-19)32-9-7-16(13-33)8-10-32)31-24-26-12-18(35-24)21(34)29-20-15(3)5-4-6-17(20)25;1-14(2)12-18-26-21(29-22(27-18)32-10-8-31(4)9-11-32)30-23-25-13-17(34-23)20(33)28-19-15(3)6-5-7-16(19)24;1-13(2)11-17-25-20(28-21(26-17)30-7-9-32-10-8-30)29-22-24-12-16(33-22)19(31)27-18-14(3)5-4-6-15(18)23/h4,6-7,15-16H,5,8-14H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);6-8,15-16H,5,9-14H2,1-4H3,(H,30,35)(H,27,28,29,31,32);4,6-7,9,11,13-15H,5,8,10,12H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);4-6,12,14,16,33H,7-11,13H2,1-3H3,(H,29,34)(H,26,27,28,30,31);5-7,13-14H,8-12H2,1-4H3,(H,28,33)(H,25,26,27,29,30);4-6,12-13H,7-11H2,1-3H3,(H,27,31)(H,24,25,26,28,29)
InChIKeyZINMFNROXAWLHJ-UHFFFAOYSA-N
XLogP28.07
TPSA659.39 Ų
H-Bond Donors15
H-Bond Acceptors56
Rotatable Bonds53
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.44
LogP ≤ 528.07
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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 162129961) is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is CCCN1CCN(c2nc(CC(C)C)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)CC1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCC(CO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCN3CCOCC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(NCCCn3ccnc3)n2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ZINMFNROXAWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN8O2S.C25H33ClN8OS.C24H28ClN9OS.C24H30ClN7O2S.C23H29ClN8OS.C22H26ClN7O2S/c1-16(2)14-20-29-23(27-8-5-9-34-10-12-36-13-11-34)32-24(30-20)33-25-28-15-19(37-25)22(35)31-21-17(3)6-4-7-18(21)26;1-5-9-33-10-12-34(13-11-33)24-29-20(14-16(2)3)28-23(31-24)32-25-27-15-19(36-25)22(35)30-21-17(4)7-6-8-18(21)26;1-15(2)12-19-29-22(27-8-5-10-34-11-9-26-14-34)32-23(30-19)33-24-28-13-18(36-24)21(35)31-20-16(3)6-4-7-17(20)25;1-14(2)11-19-27-22(30-23(28-19)32-9-7-16(13-33)8-10-32)31-24-26-12-18(35-24)21(34)29-20-15(3)5-4-6-17(20)25;1-14(2)12-18-26-21(29-22(27-18)32-10-8-31(4)9-11-32)30-23-25-13-17(34-23)20(33)28-19-15(3)6-5-7-16(19)24;1-13(2)11-17-25-20(28-21(26-17)30-7-9-32-10-8-30)29-22-24-12-16(33-22)19(31)27-18-14(3)5-4-6-15(18)23/h4,6-7,15-16H,5,8-14H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);6-8,15-16H,5,9-14H2,1-4H3,(H,30,35)(H,27,28,29,31,32);4,6-7,9,11,13-15H,5,8,10,12H2,1-3H3,(H,31,35)(H2,27,28,29,30,32,33);4-6,12,14,16,33H,7-11,13H2,1-3H3,(H,29,34)(H,26,27,28,30,31);5-7,13-14H,8-12H2,1-4H3,(H,28,33)(H,25,26,27,29,30);4-6,12-13H,7-11H2,1-3H3,(H,27,31)(H,24,25,26,28,29).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3105.44 g/mol, XLogP of 28.07, 53 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-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(3-imidazol-1-ylpropylamino)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162129961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).