N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C134H147Cl5F3N43O5S5 — CID 161139038

About N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 161139038) has the molecular formula C134H147Cl5F3N43O5S5 and a molecular weight of 2834.54 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 161139038
• Molecular Formula: C134H147Cl5F3N43O5S5
• Molecular Weight: 2834.54 g/mol
• Exact Mass: 2829.96
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(NCCCn2ccnc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(Cc4ccncc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4ccccn4)CC3)n2)s1
• InChI: InChI=1S/C29H30ClF3N8OS.C28H32ClN9OS.C28H31ClN8OS.C27H30ClN9OS.C22H24ClN9OS/c1-17(2)14-23-35-26(39-28-34-16-22(43-28)25(42)37-24-18(3)6-4-9-21(24)30)38-27(36-23)41-12-10-40(11-13-41)20-8-5-7-19(15-20)29(31,32)33;1-18(2)15-23-32-26(35-27(33-23)38-13-11-37(12-14-38)17-20-7-9-30-10-8-20)36-28-31-16-22(40-28)25(39)34-24-19(3)5-4-6-21(24)29;1-18(2)16-23-31-26(34-27(32-23)37-14-12-36(13-15-37)20-9-5-4-6-10-20)35-28-30-17-22(39-28)25(38)33-24-19(3)8-7-11-21(24)29;1-17(2)15-21-31-25(34-26(32-21)37-13-11-36(12-14-37)22-9-4-5-10-29-22)35-27-30-16-20(39-27)24(38)33-23-18(3)7-6-8-19(23)28;1-3-17-27-20(25-8-5-10-32-11-9-24-13-32)30-21(28-17)31-22-26-12-16(34-22)19(33)29-18-14(2)6-4-7-15(18)23/h4-9,15-17H,10-14H2,1-3H3,(H,37,42)(H,34,35,36,38,39);4-10,16,18H,11-15,17H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,17-18H,12-16H2,1-3H3,(H,33,38)(H,30,31,32,34,35);4-10,16-17H,11-15H2,1-3H3,(H,33,38)(H,30,31,32,34,35);4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,29,33)(H2,25,26,27,28,30,31)
• InChIKey: UNELGPXWUCXYPV-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 545.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 43
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2834.54
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 161139038) is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-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-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is CCc1nc(NCCCn2ccnc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(Cc4ccncc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(c4ccccn4)CC3)n2)s1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is UNELGPXWUCXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N8OS.C28H32ClN9OS.C28H31ClN8OS.C27H30ClN9OS.C22H24ClN9OS/c1-17(2)14-23-35-26(39-28-34-16-22(43-28)25(42)37-24-18(3)6-4-9-21(24)30)38-27(36-23)41-12-10-40(11-13-41)20-8-5-7-19(15-20)29(31,32)33;1-18(2)15-23-32-26(35-27(33-23)38-13-11-37(12-14-38)17-20-7-9-30-10-8-20)36-28-31-16-22(40-28)25(39)34-24-19(3)5-4-6-21(24)29;1-18(2)16-23-31-26(34-27(32-23)37-14-12-36(13-15-37)20-9-5-4-6-10-20)35-28-30-17-22(39-28)25(38)33-24-19(3)8-7-11-21(24)29;1-17(2)15-21-31-25(34-26(32-21)37-13-11-36(12-14-37)22-9-4-5-10-29-22)35-27-30-16-20(39-27)24(38)33-23-18(3)7-6-8-19(23)28;1-3-17-27-20(25-8-5-10-32-11-9-24-13-32)30-21(28-17)31-22-26-12-16(34-22)19(33)29-18-14(2)6-4-7-15(18)23/h4-9,15-17H,10-14H2,1-3H3,(H,37,42)(H,34,35,36,38,39);4-10,16,18H,11-15,17H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,17-18H,12-16H2,1-3H3,(H,33,38)(H,30,31,32,34,35);4-10,16-17H,11-15H2,1-3H3,(H,33,38)(H,30,31,32,34,35);4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,29,33)(H2,25,26,27,28,30,31).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 2834.54 g/mol, XLogP of 27.59, 43 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(3-imidazol-1-ylpropylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161139038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).