ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate

C8H10FNO2S — CID 79824628

IUPACethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(F)Cc1nccs1
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5H2,1H3
InChIKeyOXEIJJUPZQEXRP-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.59
Rot. Bonds4

About ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate

ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 79824628) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate
PubChem CID79824628
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Nameethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(F)Cc1nccs1
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5H2,1H3
InChIKeyOXEIJJUPZQEXRP-UHFFFAOYSA-N
XLogP1.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate (CID 79824628) is ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(F)Cc1nccs1.
What is the InChIKey of ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is OXEIJJUPZQEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate?
ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 203.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 79824628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).