ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate

C10H10N2O3S — CID 617173

IUPACethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate
SMILESCCOC(=O)COc1ccc2nsnc2c1
InChIInChI=1S/C10H10N2O3S/c1-2-14-10(13)6-15-7-3-4-8-9(5-7)12-16-11-8/h3-5H,2,6H2,1H3
InChIKeyARPTWHNULXIGDP-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate

ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate (PubChem CID 617173) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate
PubChem CID617173
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate
SMILESCCOC(=O)COc1ccc2nsnc2c1
InChIInChI=1S/C10H10N2O3S/c1-2-14-10(13)6-15-7-3-4-8-9(5-7)12-16-11-8/h3-5H,2,6H2,1H3
InChIKeyARPTWHNULXIGDP-UHFFFAOYSA-N
XLogP1.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate?
The IUPAC name of ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate (CID 617173) is ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate.
What is the SMILES notation for ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate?
The canonical SMILES for ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate is CCOC(=O)COc1ccc2nsnc2c1.
What is the InChIKey of ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate?
The InChIKey is ARPTWHNULXIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-14-10(13)6-15-7-3-4-8-9(5-7)12-16-11-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate?
ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate has a molecular weight of 238.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate is sourced from PubChem (CID 617173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).