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

C7H8F3N3OS — CID 83193007

IUPAC4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)6-12-5(14-13-6)3-1-15-2-4(3)11/h3-4H,1-2,11H2
InChIKeyZSVMKGYGOONSAW-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.25
Rot. Bonds1

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

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83193007) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83193007
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)6-12-5(14-13-6)3-1-15-2-4(3)11/h3-4H,1-2,11H2
InChIKeyZSVMKGYGOONSAW-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83193007) is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is NC1CSCC1c1nc(C(F)(F)F)no1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is ZSVMKGYGOONSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)6-12-5(14-13-6)3-1-15-2-4(3)11/h3-4H,1-2,11H2.
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 239.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83193007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).