[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C6H8F3N3OS — CID 102629982

IUPAC[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-14-5-12-11-4(3-10)13-5/h1-3,10H2
InChIKeyJYBXQVNGQHYCPY-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.57
Rot. Bonds4

About [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102629982) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102629982
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-14-5-12-11-4(3-10)13-5/h1-3,10H2
InChIKeyJYBXQVNGQHYCPY-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine 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 [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102629982) is [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCCC(F)(F)F)o1.
What is the InChIKey of [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is JYBXQVNGQHYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-14-5-12-11-4(3-10)13-5/h1-3,10H2.
What are the key properties of [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 227.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102629982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).