ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate

C7H9NO4S — CID 57081367

IUPACethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C7H9NO4S/c1-2-12-6(10)3-8-5(9)4-13-7(8)11/h4,9H,2-3H2,1H3
InChIKeyWUMUPLPLYKNUBP-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.18
Rot. Bonds3

About ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate

ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 57081367) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID57081367
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Nameethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C7H9NO4S/c1-2-12-6(10)3-8-5(9)4-13-7(8)11/h4,9H,2-3H2,1H3
InChIKeyWUMUPLPLYKNUBP-UHFFFAOYSA-N
XLogP0.18
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Delta4-Thiazolin-3-yl-essigsaureathylester
CID 129630105
Ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 81296787
Tert-butyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
CID 53698210
2-(4-Hydroxy-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 53900198
Ethyl 2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 54082984
Methyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate
CID 123755401
3-ethoxycarbonyl-2H-1,3-thiazole-2-carboxylic acid
CID 139754111
4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid
CID 53487026
Ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312394
Methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312396
Butyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate (CID 57081367) is ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate is CCOC(=O)Cn1c(O)csc1=O.
What is the InChIKey of ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is WUMUPLPLYKNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-2-12-6(10)3-8-5(9)4-13-7(8)11/h4,9H,2-3H2,1H3.
What are the key properties of ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate?
ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 203.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 57081367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).