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

C28H29F3N8OS — CID 88917101

IUPAC2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1
InChIInChI=1S/C28H29F3N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37)
InChIKeyFCJPUMNNZSPSRT-UHFFFAOYSA-N
MW582.66 g/mol
LogP5.90
Rot. Bonds6

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

2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 88917101) has the molecular formula C28H29F3N8OS and a molecular weight of 582.66 g/mol. Its IUPAC name is 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID88917101
Molecular FormulaC28H29F3N8OS
Molecular Weight582.66 g/mol
Exact Mass582.21
IUPAC Name2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1
InChIInChI=1S/C28H29F3N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37)
InChIKeyFCJPUMNNZSPSRT-UHFFFAOYSA-N
XLogP5.90
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.66
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 88917101) is 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3nc(C)nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)s2)c(C)c1.
What is the InChIKey of 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FCJPUMNNZSPSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8OS/c1-16-12-17(2)23(18(3)13-16)35-24(40)22-15-32-27(41-22)37-25-33-19(4)34-26(36-25)39-10-8-38(9-11-39)21-7-5-6-20(14-21)28(29,30)31/h5-7,12-15H,8-11H2,1-4H3,(H,35,40)(H,32,33,34,36,37).
What are the key properties of 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 582.66 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88917101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).