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

C26H26Cl2N8O2S — CID 25030174

About N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-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-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 25030174) has the molecular formula C26H26Cl2N8O2S and a molecular weight of 585.52 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)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-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 25030174
• Molecular Formula: C26H26Cl2N8O2S
• Molecular Weight: 585.52 g/mol
• Exact Mass: 584.13
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(Cl)cc3)nc(N3CCN(CCO)CC3)n2)s1
• InChI: InChI=1S/C26H26Cl2N8O2S/c1-16-3-2-4-19(28)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-7-18(27)8-6-17)32-25(33-24)36-11-9-35(10-12-36)13-14-37/h2-8,15,37H,9-14H2,1H3,(H,30,38)(H,29,31,32,33,34)
• InChIKey: MQZWKAWAEARWDG-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.52
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)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-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 25030174) is N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)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-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)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-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(Cl)cc3)nc(N3CCN(CCO)CC3)n2)s1.

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

The InChIKey is MQZWKAWAEARWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N8O2S/c1-16-3-2-4-19(28)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-7-18(27)8-6-17)32-25(33-24)36-11-9-35(10-12-36)13-14-37/h2-8,15,37H,9-14H2,1H3,(H,30,38)(H,29,31,32,33,34).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-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-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 585.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25030174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).