4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine

C8H10F3N3OS — CID 83959826

IUPAC4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine
SMILESFC(F)(F)c1nc(CN2CCOCC2)ns1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)7-12-6(13-16-7)5-14-1-3-15-4-2-14/h1-5H2
InChIKeyWZZBLNQPYMNEKB-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.39
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine

4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine (PubChem CID 83959826) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine
PubChem CID83959826
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine
SMILESFC(F)(F)c1nc(CN2CCOCC2)ns1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)7-12-6(13-16-7)5-14-1-3-15-4-2-14/h1-5H2
InChIKeyWZZBLNQPYMNEKB-UHFFFAOYSA-N
XLogP1.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine (CID 83959826) is 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine is FC(F)(F)c1nc(CN2CCOCC2)ns1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine?
The InChIKey is WZZBLNQPYMNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)7-12-6(13-16-7)5-14-1-3-15-4-2-14/h1-5H2.
What are the key properties of 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine?
4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine has a molecular weight of 253.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 83959826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).