N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C20H17F3N6S — CID 174667298

IUPACN-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CCn3cccn3)s2)c1
InChIInChI=1S/C20H17F3N6S/c1-13-9-14(16-12-25-18(30-16)4-8-29-7-2-5-26-29)11-15(10-13)27-19-24-6-3-17(28-19)20(21,22)23/h2-3,5-7,9-12H,4,8H2,1H3,(H,24,27,28)
InChIKeyKOVQKRSAWDNVCK-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.11
Rot. Bonds6

About N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 174667298) has the molecular formula C20H17F3N6S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID174667298
Molecular FormulaC20H17F3N6S
Molecular Weight430.46 g/mol
Exact Mass430.12
IUPAC NameN-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CCn3cccn3)s2)c1
InChIInChI=1S/C20H17F3N6S/c1-13-9-14(16-12-25-18(30-16)4-8-29-7-2-5-26-29)11-15(10-13)27-19-24-6-3-17(28-19)20(21,22)23/h2-3,5-7,9-12H,4,8H2,1H3,(H,24,27,28)
InChIKeyKOVQKRSAWDNVCK-UHFFFAOYSA-N
XLogP5.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(aminomethyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 67433789
2-[2-hydroxyethyl-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 67432944
2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]butan-1-ol
CID 67432225
2-[methyl-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 70926396
1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol
CID 67257310
(2S)-2-[3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propanoylamino]propanoic acid
CID 141308852
(2S,3S)-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]butane-1,3-diol
CID 67432848
5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 58456297
3-[4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrazol-1-yl]propan-1-ol
CID 67431750
2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propane-1-sulfonamide
CID 123207682
N-[3-methyl-5-[2-[2-methyl-2-(1,3,4-oxadiazol-2-yl)propyl]-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58456287
N-[3-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141308960

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 174667298) is N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CCn3cccn3)s2)c1.
What is the InChIKey of N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KOVQKRSAWDNVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6S/c1-13-9-14(16-12-25-18(30-16)4-8-29-7-2-5-26-29)11-15(10-13)27-19-24-6-3-17(28-19)20(21,22)23/h2-3,5-7,9-12H,4,8H2,1H3,(H,24,27,28).
What are the key properties of N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 430.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[2-(2-pyrazol-1-ylethyl)-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 174667298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).