ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate

C8H11N3O3S — CID 70569518

IUPACethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1nsc(CC(N)=O)n1
InChIInChI=1S/C8H11N3O3S/c1-2-14-8(13)4-6-10-7(15-11-6)3-5(9)12/h2-4H2,1H3,(H2,9,12)
InChIKeyAXGKGXVCNLMLLZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.33
Rot. Bonds5

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

ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate (PubChem CID 70569518) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate
PubChem CID70569518
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Nameethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1nsc(CC(N)=O)n1
InChIInChI=1S/C8H11N3O3S/c1-2-14-8(13)4-6-10-7(15-11-6)3-5(9)12/h2-4H2,1H3,(H2,9,12)
InChIKeyAXGKGXVCNLMLLZ-UHFFFAOYSA-N
XLogP-0.33
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate (CID 70569518) is ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate is CCOC(=O)Cc1nsc(CC(N)=O)n1.
What is the InChIKey of ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate?
The InChIKey is AXGKGXVCNLMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-2-14-8(13)4-6-10-7(15-11-6)3-5(9)12/h2-4H2,1H3,(H2,9,12).
What are the key properties of ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate?
ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate has a molecular weight of 229.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-3-yl]acetate is sourced from PubChem (CID 70569518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).