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

C6H9N3O2S — CID 13326900

IUPACethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nsc(N)n1
InChIInChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-6(7)12-9-4/h2-3H2,1H3,(H2,7,8,9)
InChIKeyKBTRLAKKCJYDDT-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.23
Rot. Bonds3

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

ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (PubChem CID 13326900) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
PubChem CID13326900
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Nameethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nsc(N)n1
InChIInChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-6(7)12-9-4/h2-3H2,1H3,(H2,7,8,9)
InChIKeyKBTRLAKKCJYDDT-UHFFFAOYSA-N
XLogP0.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (CID 13326900) is ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is CCOC(=O)Cc1nsc(N)n1.
What is the InChIKey of ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is KBTRLAKKCJYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-6(7)12-9-4/h2-3H2,1H3,(H2,7,8,9).
What are the key properties of ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 13326900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).