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

C24H23ClN8OS — CID 88917076

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

N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 88917076) has the molecular formula C24H23ClN8OS and a molecular weight of 507.02 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-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-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 88917076
• Molecular Formula: C24H23ClN8OS
• Molecular Weight: 507.02 g/mol
• Exact Mass: 506.14
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCNCC3)n2)s1
• InChI: InChI=1S/C24H23ClN8OS/c1-15-6-5-9-17(25)19(15)28-21(34)18-14-27-24(35-18)32-22-29-20(16-7-3-2-4-8-16)30-23(31-22)33-12-10-26-11-13-33/h2-9,14,26H,10-13H2,1H3,(H,28,34)(H,27,29,30,31,32)
• InChIKey: YILSNSBCHOKIJY-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 107.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.02
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-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-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide (CID 88917076) is N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-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-phenyl-6-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-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCNCC3)n2)s1.

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

The InChIKey is YILSNSBCHOKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8OS/c1-15-6-5-9-17(25)19(15)28-21(34)18-14-27-24(35-18)32-22-29-20(16-7-3-2-4-8-16)30-23(31-22)33-12-10-26-11-13-33/h2-9,14,26H,10-13H2,1H3,(H,28,34)(H,27,29,30,31,32).

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

N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 507.02 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[(4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).