N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine

C14H13F3N2S — CID 102720209

IUPACN-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2ccccc2)n1
InChIInChI=1S/C14H13F3N2S/c1-2-18-12-8-10(14(15,16)17)9-13(19-12)20-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyFPXMLUOLYICJHP-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.68
Rot. Bonds4

About N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720209) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720209
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC NameN-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2ccccc2)n1
InChIInChI=1S/C14H13F3N2S/c1-2-18-12-8-10(14(15,16)17)9-13(19-12)20-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyFPXMLUOLYICJHP-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720155
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102720320
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720269
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720209) is N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(Sc2ccccc2)n1.
What is the InChIKey of N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FPXMLUOLYICJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-2-18-12-8-10(14(15,16)17)9-13(19-12)20-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).