5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C8H10F3N3OS — CID 82905084

IUPAC5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CSCCN2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)5-4-16-2-1-12-5/h5,12H,1-4H2
InChIKeyAPBDAZMJLPGXHB-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.55
Rot. Bonds2

About 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 82905084) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID82905084
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CSCCN2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)5-4-16-2-1-12-5/h5,12H,1-4H2
InChIKeyAPBDAZMJLPGXHB-UHFFFAOYSA-N
XLogP1.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-[(4-methylphenyl)sulfanylmethyl]-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82904775
3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116740470
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 130637803
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 61392856
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778

Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 82905084) is 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(C2CSCCN2)n1.
What is the InChIKey of 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is APBDAZMJLPGXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)5-4-16-2-1-12-5/h5,12H,1-4H2.
What are the key properties of 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 253.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82905084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).