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

C7H9NO3S — CID 63312394

IUPACethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1ccsc1=O
InChIInChI=1S/C7H9NO3S/c1-2-11-6(9)5-8-3-4-12-7(8)10/h3-4H,2,5H2,1H3
InChIKeyJRENJLVLBYLYEU-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.47
Rot. Bonds3

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

ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 63312394) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID63312394
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1ccsc1=O
InChIInChI=1S/C7H9NO3S/c1-2-11-6(9)5-8-3-4-12-7(8)10/h3-4H,2,5H2,1H3
InChIKeyJRENJLVLBYLYEU-UHFFFAOYSA-N
XLogP0.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate (CID 63312394) is ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate is CCOC(=O)Cn1ccsc1=O.
What is the InChIKey of ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is JRENJLVLBYLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-11-6(9)5-8-3-4-12-7(8)10/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 63312394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).