ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate

C7H9N3O3S — CID 47257748

IUPACethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cnsn1
InChIInChI=1S/C7H9N3O3S/c1-2-13-6(11)4-8-7(12)5-3-9-14-10-5/h3H,2,4H2,1H3,(H,8,12)
InChIKeyARZVCMUEWKEQGH-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate

ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate (PubChem CID 47257748) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
PubChem CID47257748
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Nameethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cnsn1
InChIInChI=1S/C7H9N3O3S/c1-2-13-6(11)4-8-7(12)5-3-9-14-10-5/h3H,2,4H2,1H3,(H,8,12)
InChIKeyARZVCMUEWKEQGH-UHFFFAOYSA-N
XLogP-0.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate?
The IUPAC name of ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate (CID 47257748) is ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate is CCOC(=O)CNC(=O)c1cnsn1.
What is the InChIKey of ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate?
The InChIKey is ARZVCMUEWKEQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-2-13-6(11)4-8-7(12)5-3-9-14-10-5/h3H,2,4H2,1H3,(H,8,12).
What are the key properties of ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate?
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate has a molecular weight of 215.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate is sourced from PubChem (CID 47257748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).