ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate

C7H9NO2S2 — CID 90945413

IUPACethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1cncs1
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)4-11-7-3-8-5-12-7/h3,5H,2,4H2,1H3
InChIKeyWUNJYKQETFWEFI-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.80
Rot. Bonds4

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

ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate (PubChem CID 90945413) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate
PubChem CID90945413
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Nameethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1cncs1
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)4-11-7-3-8-5-12-7/h3,5H,2,4H2,1H3
InChIKeyWUNJYKQETFWEFI-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.80
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-5-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate (CID 90945413) is ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate is CCOC(=O)CSc1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate?
The InChIKey is WUNJYKQETFWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-2-10-6(9)4-11-7-3-8-5-12-7/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate?
ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate has a molecular weight of 203.29 g/mol, XLogP of 1.80, 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-5-ylsulfanyl)acetate is sourced from PubChem (CID 90945413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).