6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C14H13F3N2S — CID 102720134

IUPAC6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)cc(N)n2)c(C)c1
InChIInChI=1S/C14H13F3N2S/c1-8-3-4-11(9(2)5-8)20-13-7-10(14(15,16)17)6-12(18)19-13/h3-7H,1-2H3,(H2,18,19)
InChIKeySTNKPNFMAVTHFU-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.45
Rot. Bonds2

About 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720134) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720134
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)cc(N)n2)c(C)c1
InChIInChI=1S/C14H13F3N2S/c1-8-3-4-11(9(2)5-8)20-13-7-10(14(15,16)17)6-12(18)19-13/h3-7H,1-2H3,(H2,18,19)
InChIKeySTNKPNFMAVTHFU-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107765534
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720333
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
CID 80882423
1-[2-bromo-4-(trifluoromethyl)phenyl]sulfanyl-2,4-dimethylbenzene
CID 68681740
6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80883447
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720269
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720407
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720134) is 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(Sc2cc(C(F)(F)F)cc(N)n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is STNKPNFMAVTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-8-3-4-11(9(2)5-8)20-13-7-10(14(15,16)17)6-12(18)19-13/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.33 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).