N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C83H91Cl3N24O7S3 — CID 159222853

About N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 159222853) has the molecular formula C83H91Cl3N24O7S3 and a molecular weight of 1739.36 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-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-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 159222853
• Molecular Formula: C83H91Cl3N24O7S3
• Molecular Weight: 1739.36 g/mol
• Exact Mass: 1736.57
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: CCCN1CCN(c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(-c3ccc(OC)cc3)n2)CC1.COc1cccc(-c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(N3CCN(CCO)CC3)n2)c1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3c(C)cccc3C)nc(N3CCN(CCO)CC3)n2)s1
• InChI: InChI=1S/2C28H31ClN8O2S.C27H29ClN8O3S/c1-17-6-4-7-18(2)22(17)24-32-26(34-27(33-24)37-12-10-36(11-13-37)14-15-38)35-28-30-16-21(40-28)25(39)31-23-19(3)8-5-9-20(23)29;1-4-12-36-13-15-37(16-14-36)27-33-24(19-8-10-20(39-3)11-9-19)32-26(34-27)35-28-30-17-22(40-28)25(38)31-23-18(2)6-5-7-21(23)29;1-17-5-3-8-20(28)22(17)30-24(38)21-16-29-27(40-21)34-25-31-23(18-6-4-7-19(15-18)39-2)32-26(33-25)36-11-9-35(10-12-36)13-14-37/h4-9,16,38H,10-15H2,1-3H3,(H,31,39)(H,30,32,33,34,35);5-11,17H,4,12-16H2,1-3H3,(H,31,38)(H,30,32,33,34,35);3-8,15-16,37H,9-14H2,1-2H3,(H,30,38)(H,29,31,32,33,34)
• InChIKey: KRXKXEBNMJRICA-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 356.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1739.36
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-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-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 159222853) is N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-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-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-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-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-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(-c3ccc(OC)cc3)n2)CC1.COc1cccc(-c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(N3CCN(CCO)CC3)n2)c1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3c(C)cccc3C)nc(N3CCN(CCO)CC3)n2)s1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is KRXKXEBNMJRICA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31ClN8O2S.C27H29ClN8O3S/c1-17-6-4-7-18(2)22(17)24-32-26(34-27(33-24)37-12-10-36(11-13-37)14-15-38)35-28-30-16-21(40-28)25(39)31-23-19(3)8-5-9-20(23)29;1-4-12-36-13-15-37(16-14-36)27-33-24(19-8-10-20(39-3)11-9-19)32-26(34-27)35-28-30-17-22(40-28)25(38)31-23-18(2)6-5-7-21(23)29;1-17-5-3-8-20(28)22(17)30-24(38)21-16-29-27(40-21)34-25-31-23(18-6-4-7-19(15-18)39-2)32-26(33-25)36-11-9-35(10-12-36)13-14-37/h4-9,16,38H,10-15H2,1-3H3,(H,31,39)(H,30,32,33,34,35);5-11,17H,4,12-16H2,1-3H3,(H,31,38)(H,30,32,33,34,35);3-8,15-16,37H,9-14H2,1-2H3,(H,30,38)(H,29,31,32,33,34).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1739.36 g/mol, XLogP of 14.25, 26 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159222853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).