2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate

C8H10N3O4S- — CID 3579964

IUPAC2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESO=C([O-])COc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)/p-1
InChIKeyZWMFBTMNSSMSGD-UHFFFAOYSA-M
MW244.25 g/mol
LogP-1.50
Rot. Bonds4

About 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate

2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (PubChem CID 3579964) has the molecular formula C8H10N3O4S- and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
PubChem CID3579964
Molecular FormulaC8H10N3O4S-
Molecular Weight244.25 g/mol
Exact Mass244.04
IUPAC Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESO=C([O-])COc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)/p-1
InChIKeyZWMFBTMNSSMSGD-UHFFFAOYSA-M
XLogP-1.50
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The IUPAC name of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (CID 3579964) is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.
What is the SMILES notation for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The canonical SMILES for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is O=C([O-])COc1nsnc1N1CCOCC1.
What is the InChIKey of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The InChIKey is ZWMFBTMNSSMSGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)/p-1.
What are the key properties of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate has a molecular weight of 244.25 g/mol, XLogP of -1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is sourced from PubChem (CID 3579964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).