5-pyridin-2-yl-1,3,4-oxathiazol-2-one

C7H4N2O2S — CID 13494006

IUPAC5-pyridin-2-yl-1,3,4-oxathiazol-2-one
SMILESO=c1oc(-c2ccccn2)ns1
InChIInChI=1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-3-1-2-4-8-5/h1-4H
InChIKeySOQSNWYFTJVMAF-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.16
Rot. Bonds1

About 5-pyridin-2-yl-1,3,4-oxathiazol-2-one

5-pyridin-2-yl-1,3,4-oxathiazol-2-one (PubChem CID 13494006) has the molecular formula C7H4N2O2S and a molecular weight of 180.19 g/mol. Its IUPAC name is 5-pyridin-2-yl-1,3,4-oxathiazol-2-one.

Molecular Properties

Compound Name5-pyridin-2-yl-1,3,4-oxathiazol-2-one
PubChem CID13494006
Molecular FormulaC7H4N2O2S
Molecular Weight180.19 g/mol
Exact Mass180.00
IUPAC Name5-pyridin-2-yl-1,3,4-oxathiazol-2-one
SMILESO=c1oc(-c2ccccn2)ns1
InChIInChI=1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-3-1-2-4-8-5/h1-4H
InChIKeySOQSNWYFTJVMAF-UHFFFAOYSA-N
XLogP1.16
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1,3,4-oxathiazol-2-one?
The IUPAC name of 5-pyridin-2-yl-1,3,4-oxathiazol-2-one (CID 13494006) is 5-pyridin-2-yl-1,3,4-oxathiazol-2-one.
What is the SMILES notation for 5-pyridin-2-yl-1,3,4-oxathiazol-2-one?
The canonical SMILES for 5-pyridin-2-yl-1,3,4-oxathiazol-2-one is O=c1oc(-c2ccccn2)ns1.
What is the InChIKey of 5-pyridin-2-yl-1,3,4-oxathiazol-2-one?
The InChIKey is SOQSNWYFTJVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-3-1-2-4-8-5/h1-4H.
What are the key properties of 5-pyridin-2-yl-1,3,4-oxathiazol-2-one?
5-pyridin-2-yl-1,3,4-oxathiazol-2-one has a molecular weight of 180.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1,3,4-oxathiazol-2-one is sourced from PubChem (CID 13494006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).