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

C4H4N3O2S- — CID 21458544

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESNc1nc(CC(=O)[O-])ns1
InChIInChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7)/p-1
InChIKeyLUHWDUKKNLAKOO-UHFFFAOYSA-M
MW158.16 g/mol
LogP-1.59
Rot. Bonds2

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

2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (PubChem CID 21458544) has the molecular formula C4H4N3O2S- and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
PubChem CID21458544
Molecular FormulaC4H4N3O2S-
Molecular Weight158.16 g/mol
Exact Mass158.00
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESNc1nc(CC(=O)[O-])ns1
InChIInChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7)/p-1
InChIKeyLUHWDUKKNLAKOO-UHFFFAOYSA-M
XLogP-1.59
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (CID 21458544) is 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is Nc1nc(CC(=O)[O-])ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is LUHWDUKKNLAKOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N3O2S/c5-4-6-2(7-10-4)1-3(8)9/h1H2,(H,8,9)(H2,5,6,7)/p-1.
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
2-(5-amino-1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 158.16 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 21458544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).