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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
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-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716647
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
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
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720293

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).