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

C7H8F3N3OS — CID 43559973

IUPAC3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCSC1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-4(13-14-5)6(11)1-2-15-3-6/h1-3,11H2
InChIKeyJLMMVQBXHPBNFF-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.38
Rot. Bonds1

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

3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (PubChem CID 43559973) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
PubChem CID43559973
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCSC1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-4(13-14-5)6(11)1-2-15-3-6/h1-3,11H2
InChIKeyJLMMVQBXHPBNFF-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (CID 43559973) is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine is NC1(c2noc(C(F)(F)F)n2)CCSC1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The InChIKey is JLMMVQBXHPBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-4(13-14-5)6(11)1-2-15-3-6/h1-3,11H2.
What are the key properties of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine has a molecular weight of 239.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine is sourced from PubChem (CID 43559973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).