N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C129H128Cl5F3N42O6S5 — CID 159552528

About N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 159552528) has the molecular formula C129H128Cl5F3N42O6S5 and a molecular weight of 2757.32 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 159552528
• Molecular Formula: C129H128Cl5F3N42O6S5
• Molecular Weight: 2757.32 g/mol
• Exact Mass: 2752.80
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(Cc4ccncc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccccn4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCNC(=O)C3)n2)s1
• InChI: InChI=1S/C28H26ClF3N8OS.C27H28ClN9OS.C27H27ClN8OS.C26H26ClN9OS.C21H21ClN8O2S/c1-16-4-2-7-20(29)22(16)34-24(41)21-15-33-27(42-21)38-25-35-23(17-8-9-17)36-26(37-25)40-12-10-39(11-13-40)19-6-3-5-18(14-19)28(30,31)32;1-17-3-2-4-20(28)22(17)31-24(38)21-15-30-27(39-21)35-25-32-23(19-5-6-19)33-26(34-25)37-13-11-36(12-14-37)16-18-7-9-29-10-8-18;1-17-6-5-9-20(28)22(17)30-24(37)21-16-29-27(38-21)34-25-31-23(18-10-11-18)32-26(33-25)36-14-12-35(13-15-36)19-7-3-2-4-8-19;1-16-5-4-6-18(27)21(16)30-23(37)19-15-29-26(38-19)34-24-31-22(17-8-9-17)32-25(33-24)36-13-11-35(12-14-36)20-7-2-3-10-28-20;1-11-3-2-4-13(22)16(11)25-18(32)14-9-24-21(33-14)29-19-26-17(12-5-6-12)27-20(28-19)30-8-7-23-15(31)10-30/h2-7,14-15,17H,8-13H2,1H3,(H,34,41)(H,33,35,36,37,38);2-4,7-10,15,19H,5-6,11-14,16H2,1H3,(H,31,38)(H,30,32,33,34,35);2-9,16,18H,10-15H2,1H3,(H,30,37)(H,29,31,32,33,34);2-7,10,15,17H,8-9,11-14H2,1H3,(H,30,37)(H,29,31,32,33,34);2-4,9,12H,5-8,10H2,1H3,(H,23,31)(H,25,32)(H,24,26,27,28,29)
• InChIKey: MFONHYYNGCPVSH-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 547.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2757.32
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 159552528) is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(Cc4ccncc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccccc4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(c4ccccn4)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCNC(=O)C3)n2)s1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is MFONHYYNGCPVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N8OS.C27H28ClN9OS.C27H27ClN8OS.C26H26ClN9OS.C21H21ClN8O2S/c1-16-4-2-7-20(29)22(16)34-24(41)21-15-33-27(42-21)38-25-35-23(17-8-9-17)36-26(37-25)40-12-10-39(11-13-40)19-6-3-5-18(14-19)28(30,31)32;1-17-3-2-4-20(28)22(17)31-24(38)21-15-30-27(39-21)35-25-32-23(19-5-6-19)33-26(34-25)37-13-11-36(12-14-37)16-18-7-9-29-10-8-18;1-17-6-5-9-20(28)22(17)30-24(37)21-16-29-27(38-21)34-25-31-23(18-10-11-18)32-26(33-25)36-14-12-35(13-15-36)19-7-3-2-4-8-19;1-16-5-4-6-18(27)21(16)30-23(37)19-15-29-26(38-19)34-24-31-22(17-8-9-17)32-25(33-24)36-13-11-35(12-14-36)20-7-2-3-10-28-20;1-11-3-2-4-13(22)16(11)25-18(32)14-9-24-21(33-14)29-19-26-17(12-5-6-12)27-20(28-19)30-8-7-23-15(31)10-30/h2-7,14-15,17H,8-13H2,1H3,(H,34,41)(H,33,35,36,37,38);2-4,7-10,15,19H,5-6,11-14,16H2,1H3,(H,31,38)(H,30,32,33,34,35);2-9,16,18H,10-15H2,1H3,(H,30,37)(H,29,31,32,33,34);2-7,10,15,17H,8-9,11-14H2,1H3,(H,30,37)(H,29,31,32,33,34);2-4,9,12H,5-8,10H2,1H3,(H,23,31)(H,25,32)(H,24,26,27,28,29).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 2757.32 g/mol, XLogP of 24.86, 35 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 159552528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).