N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C15H15F3N2S — CID 102720227

IUPACN-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C15H15F3N2S/c1-3-19-13-8-11(15(16,17)18)9-14(20-13)21-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHXBGPRMZWLGGTN-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.99
Rot. Bonds4

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

N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720227) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720227
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC NameN-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C15H15F3N2S/c1-3-19-13-8-11(15(16,17)18)9-14(20-13)21-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHXBGPRMZWLGGTN-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720227) is N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(Sc2ccc(C)cc2)n1.
What is the InChIKey of N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HXBGPRMZWLGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-3-19-13-8-11(15(16,17)18)9-14(20-13)21-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 312.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).