2-(1,2-thiazol-3-yl)acetate

C5H4NO2S- — CID 22119909

IUPAC2-(1,2-thiazol-3-yl)acetate
SMILESO=C([O-])Cc1ccsn1
InChIInChI=1S/C5H5NO2S/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)/p-1
InChIKeyOHEYDQQAGOMBJA-UHFFFAOYSA-M
MW142.16 g/mol
LogP-0.56
Rot. Bonds2

About 2-(1,2-thiazol-3-yl)acetate

2-(1,2-thiazol-3-yl)acetate (PubChem CID 22119909) has the molecular formula C5H4NO2S- and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)acetate.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)acetate
PubChem CID22119909
Molecular FormulaC5H4NO2S-
Molecular Weight142.16 g/mol
Exact Mass142.00
IUPAC Name2-(1,2-thiazol-3-yl)acetate
SMILESO=C([O-])Cc1ccsn1
InChIInChI=1S/C5H5NO2S/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)/p-1
InChIKeyOHEYDQQAGOMBJA-UHFFFAOYSA-M
XLogP-0.56
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)acetate?
The IUPAC name of 2-(1,2-thiazol-3-yl)acetate (CID 22119909) is 2-(1,2-thiazol-3-yl)acetate.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)acetate?
The canonical SMILES for 2-(1,2-thiazol-3-yl)acetate is O=C([O-])Cc1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)acetate?
The InChIKey is OHEYDQQAGOMBJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)/p-1.
What are the key properties of 2-(1,2-thiazol-3-yl)acetate?
2-(1,2-thiazol-3-yl)acetate has a molecular weight of 142.16 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)acetate is sourced from PubChem (CID 22119909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).