ethyl 2-(1,3-thiazol-2-yloxy)acetate

C7H9NO3S — CID 22765972

IUPACethyl 2-(1,3-thiazol-2-yloxy)acetate
SMILESCCOC(=O)COc1nccs1
InChIInChI=1S/C7H9NO3S/c1-2-10-6(9)5-11-7-8-3-4-12-7/h3-4H,2,5H2,1H3
InChIKeyKQXMHCLESGGTNZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-(1,3-thiazol-2-yloxy)acetate

ethyl 2-(1,3-thiazol-2-yloxy)acetate (PubChem CID 22765972) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-yloxy)acetate
PubChem CID22765972
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl 2-(1,3-thiazol-2-yloxy)acetate
SMILESCCOC(=O)COc1nccs1
InChIInChI=1S/C7H9NO3S/c1-2-10-6(9)5-11-7-8-3-4-12-7/h3-4H,2,5H2,1H3
InChIKeyKQXMHCLESGGTNZ-UHFFFAOYSA-N
XLogP1.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-yloxy)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-yloxy)acetate (CID 22765972) is ethyl 2-(1,3-thiazol-2-yloxy)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-yloxy)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-yloxy)acetate is CCOC(=O)COc1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-yloxy)acetate?
The InChIKey is KQXMHCLESGGTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-10-6(9)5-11-7-8-3-4-12-7/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-yloxy)acetate?
ethyl 2-(1,3-thiazol-2-yloxy)acetate has a molecular weight of 187.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-yloxy)acetate is sourced from PubChem (CID 22765972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).