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

C31H26ClF3N8OS — CID 88917074

About N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 88917074) has the molecular formula C31H26ClF3N8OS and a molecular weight of 651.12 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 88917074
• Molecular Formula: C31H26ClF3N8OS
• Molecular Weight: 651.12 g/mol
• Exact Mass: 650.16
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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(-c3ccccc3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1
• InChI: InChI=1S/C31H26ClF3N8OS/c1-19-7-5-12-23(32)25(19)37-27(44)24-18-36-30(45-24)41-28-38-26(20-8-3-2-4-9-20)39-29(40-28)43-15-13-42(14-16-43)22-11-6-10-21(17-22)31(33,34)35/h2-12,17-18H,13-16H2,1H3,(H,37,44)(H,36,38,39,40,41)
• InChIKey: ZZGWRBCCJXPQKT-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.12
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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-phenyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 88917074) is N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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-phenyl-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-phenyl-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(-c3ccccc3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1.

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

The InChIKey is ZZGWRBCCJXPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClF3N8OS/c1-19-7-5-12-23(32)25(19)37-27(44)24-18-36-30(45-24)41-28-38-26(20-8-3-2-4-9-20)39-29(40-28)43-15-13-42(14-16-43)22-11-6-10-21(17-22)31(33,34)35/h2-12,17-18H,13-16H2,1H3,(H,37,44)(H,36,38,39,40,41).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-phenyl-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-phenyl-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 651.12 g/mol, XLogP of 7.30, 7 rotatable bonds, 2 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-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).