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

C7H9NO3S — CID 714236

IUPACethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(O)cs1
InChIInChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h4,9H,2-3H2,1H3
InChIKeyZZGSZEVDFGBFJX-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.95
Rot. Bonds3

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

ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate (PubChem CID 714236) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
PubChem CID714236
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(O)cs1
InChIInChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h4,9H,2-3H2,1H3
InChIKeyZZGSZEVDFGBFJX-UHFFFAOYSA-N
XLogP0.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate (CID 714236) is ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1nc(O)cs1.
What is the InChIKey of ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate?
The InChIKey is ZZGSZEVDFGBFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h4,9H,2-3H2,1H3.
What are the key properties of ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate?
ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 714236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).