4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

C13H14FN3O2S — CID 43949536

IUPAC4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1ccc(COc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-19-13-12(15-20-16-13)17-5-7-18-8-6-17/h1-4H,5-9H2
InChIKeyXILACJSFJSGRML-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.09
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 43949536) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID43949536
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1ccc(COc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-19-13-12(15-20-16-13)17-5-7-18-8-6-17/h1-4H,5-9H2
InChIKeyXILACJSFJSGRML-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (CID 43949536) is 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is Fc1ccc(COc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is XILACJSFJSGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-19-13-12(15-20-16-13)17-5-7-18-8-6-17/h1-4H,5-9H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 295.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 43949536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).