4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C15H11F3N4OS — CID 68663950

IUPAC4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1nnc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)o1
InChIInChI=1S/C15H11F3N4OS/c1-24-14-22-21-13(23-14)9-5-6-19-12(7-9)20-11-4-2-3-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyDFNNOCFIIVFAAI-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.62
Rot. Bonds4

About 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 68663950) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID68663950
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1nnc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)o1
InChIInChI=1S/C15H11F3N4OS/c1-24-14-22-21-13(23-14)9-5-6-19-12(7-9)20-11-4-2-3-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyDFNNOCFIIVFAAI-UHFFFAOYSA-N
XLogP4.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]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

2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118135615
N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 141440807
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137593
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 68663950) is 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is CSc1nnc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)o1.
What is the InChIKey of 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is DFNNOCFIIVFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-24-14-22-21-13(23-14)9-5-6-19-12(7-9)20-11-4-2-3-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 352.34 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 68663950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).