ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate

C9H13NO3S — CID 71426523

IUPACethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(OCC)s1
InChIInChI=1S/C9H13NO3S/c1-3-12-8(11)5-7-6-10-9(14-7)13-4-2/h6H,3-5H2,1-2H3
InChIKeyFOWWJPRTWMZPJZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate

ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate (PubChem CID 71426523) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate
PubChem CID71426523
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Nameethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(OCC)s1
InChIInChI=1S/C9H13NO3S/c1-3-12-8(11)5-7-6-10-9(14-7)13-4-2/h6H,3-5H2,1-2H3
InChIKeyFOWWJPRTWMZPJZ-UHFFFAOYSA-N
XLogP1.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate (CID 71426523) is ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate is CCOC(=O)Cc1cnc(OCC)s1.
What is the InChIKey of ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate?
The InChIKey is FOWWJPRTWMZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-3-12-8(11)5-7-6-10-9(14-7)13-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate has a molecular weight of 215.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 71426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).