5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

C25H23F3N8S — CID 123534051

IUPAC5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(C=Cc3cccc(C(F)(F)F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C25H23F3N8S/c1-17-16-30-24(37-17)34-22-31-21(6-5-18-3-2-4-19(15-18)25(26,27)28)32-23(33-22)36-13-11-35(12-14-36)20-7-9-29-10-8-20/h2-10,15-16H,11-14H2,1H3,(H,30,31,32,33,34)
InChIKeyBQQGZUSRYAURCW-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.29
Rot. Bonds6

About 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 123534051) has the molecular formula C25H23F3N8S and a molecular weight of 524.58 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
PubChem CID123534051
Molecular FormulaC25H23F3N8S
Molecular Weight524.58 g/mol
Exact Mass524.17
IUPAC Name5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(C=Cc3cccc(C(F)(F)F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C25H23F3N8S/c1-17-16-30-24(37-17)34-22-31-21(6-5-18-3-2-4-19(15-18)25(26,27)28)32-23(33-22)36-13-11-35(12-14-36)20-7-9-29-10-8-20/h2-10,15-16H,11-14H2,1H3,(H,30,31,32,33,34)
InChIKeyBQQGZUSRYAURCW-UHFFFAOYSA-N
XLogP5.29
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355931
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991173
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 155546230
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)thiazol-4-yl)-1,8-naphthyridin-4-amine
CID 11510499
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15979015
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-6-piperazin-1-yl pyridin-2-amine
CID 15979138

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (CID 123534051) is 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(C=Cc3cccc(C(F)(F)F)c3)nc(N3CCN(c4ccncc4)CC3)n2)s1.
What is the InChIKey of 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is BQQGZUSRYAURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8S/c1-17-16-30-24(37-17)34-22-31-21(6-5-18-3-2-4-19(15-18)25(26,27)28)32-23(33-22)36-13-11-35(12-14-36)20-7-9-29-10-8-20/h2-10,15-16H,11-14H2,1H3,(H,30,31,32,33,34).
What are the key properties of 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 524.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-pyridin-4-ylpiperazin-1-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123534051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).