ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate

C8H11NO2S2 — CID 90966646

IUPACethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
SMILESCCOC(=O)CCSc1cncs1
InChIInChI=1S/C8H11NO2S2/c1-2-11-7(10)3-4-12-8-5-9-6-13-8/h5-6H,2-4H2,1H3
InChIKeyAZLSXQZPHMYCNL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.19
Rot. Bonds5

About ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate

ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate (PubChem CID 90966646) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
PubChem CID90966646
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Nameethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
SMILESCCOC(=O)CCSc1cncs1
InChIInChI=1S/C8H11NO2S2/c1-2-11-7(10)3-4-12-8-5-9-6-13-8/h5-6H,2-4H2,1H3
InChIKeyAZLSXQZPHMYCNL-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate 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 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The IUPAC name of ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate (CID 90966646) is ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate is CCOC(=O)CCSc1cncs1.
What is the InChIKey of ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The InChIKey is AZLSXQZPHMYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c1-2-11-7(10)3-4-12-8-5-9-6-13-8/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate has a molecular weight of 217.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate is sourced from PubChem (CID 90966646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).