4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine

C8H13N3O2S — CID 735594

IUPAC4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESCCOc1nsnc1N1CCOCC1
InChIInChI=1S/C8H13N3O2S/c1-2-13-8-7(9-14-10-8)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyBOJFPXSFIPLXSX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.77
Rot. Bonds3

About 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine

4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 735594) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID735594
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESCCOc1nsnc1N1CCOCC1
InChIInChI=1S/C8H13N3O2S/c1-2-13-8-7(9-14-10-8)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyBOJFPXSFIPLXSX-UHFFFAOYSA-N
XLogP0.77
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine (CID 735594) is 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine is CCOc1nsnc1N1CCOCC1.
What is the InChIKey of 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is BOJFPXSFIPLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-13-8-7(9-14-10-8)11-3-5-12-6-4-11/h2-6H2,1H3.
What are the key properties of 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine?
4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 215.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 735594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).