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

C7H10F3N3OS — CID 60810714

IUPAC3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCSCCC(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-15-3-2-4(11)5-12-6(14-13-5)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyXCERDZURQTVIJF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.84
Rot. Bonds4

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

3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 60810714) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID60810714
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCSCCC(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-15-3-2-4(11)5-12-6(14-13-5)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyXCERDZURQTVIJF-UHFFFAOYSA-N
XLogP1.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 60810714) is 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CSCCC(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XCERDZURQTVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-15-3-2-4(11)5-12-6(14-13-5)7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 241.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 60810714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).