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

C10H15N3O4S — CID 623499

IUPACethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C10H15N3O4S/c1-2-16-8(14)7-17-10-9(11-18-12-10)13-3-5-15-6-4-13/h2-7H2,1H3
InChIKeyAUHPLFYIVXZIHJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.32
Rot. Bonds5

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

ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (PubChem CID 623499) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
PubChem CID623499
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C10H15N3O4S/c1-2-16-8(14)7-17-10-9(11-18-12-10)13-3-5-15-6-4-13/h2-7H2,1H3
InChIKeyAUHPLFYIVXZIHJ-UHFFFAOYSA-N
XLogP0.32
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (CID 623499) is ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is CCOC(=O)COc1nsnc1N1CCOCC1.
What is the InChIKey of ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The InChIKey is AUHPLFYIVXZIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-2-16-8(14)7-17-10-9(11-18-12-10)13-3-5-15-6-4-13/h2-7H2,1H3.
What are the key properties of ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate has a molecular weight of 273.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is sourced from PubChem (CID 623499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).