4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine

C14H13F3N2S — CID 106748723

IUPAC4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)ncc2N)cc1C
InChIInChI=1S/C14H13F3N2S/c1-8-3-4-10(5-9(8)2)20-12-6-13(14(15,16)17)19-7-11(12)18/h3-7H,18H2,1-2H3
InChIKeySNWTZDCNANTNMF-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.45
Rot. Bonds2

About 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine

4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748723) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748723
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1ccc(Sc2cc(C(F)(F)F)ncc2N)cc1C
InChIInChI=1S/C14H13F3N2S/c1-8-3-4-10(5-9(8)2)20-12-6-13(14(15,16)17)19-7-11(12)18/h3-7H,18H2,1-2H3
InChIKeySNWTZDCNANTNMF-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-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 106748835
2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
CID 114044329
[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79875695
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
4-(3,4-dimethylphenyl)sulfanyl-3-fluoroaniline
CID 28972791
6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 106748387
4-cyclopentylsulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748813
5-amino-6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81438970
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
CID 103002487
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
CID 113458839

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine (CID 106748723) is 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine is Cc1ccc(Sc2cc(C(F)(F)F)ncc2N)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is SNWTZDCNANTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-8-3-4-10(5-9(8)2)20-12-6-13(14(15,16)17)19-7-11(12)18/h3-7H,18H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine?
4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-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 4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).