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

C8H11N3O3S — CID 703601

IUPAC(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate
SMILESCC(=O)Oc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O3S/c1-6(12)14-8-7(9-15-10-8)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyOTZDBSZXXUVKRO-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.30
Rot. Bonds2

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

(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate (PubChem CID 703601) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate.

Molecular Properties

Compound Name(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate
PubChem CID703601
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate
SMILESCC(=O)Oc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O3S/c1-6(12)14-8-7(9-15-10-8)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyOTZDBSZXXUVKRO-UHFFFAOYSA-N
XLogP0.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate?
The IUPAC name of (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate (CID 703601) is (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate.
What is the SMILES notation for (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate?
The canonical SMILES for (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate is CC(=O)Oc1nsnc1N1CCOCC1.
What is the InChIKey of (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate?
The InChIKey is OTZDBSZXXUVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-6(12)14-8-7(9-15-10-8)11-2-4-13-5-3-11/h2-5H2,1H3.
What are the key properties of (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate?
(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate has a molecular weight of 229.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) acetate is sourced from PubChem (CID 703601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).