ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C8H10FNO3S — CID 81297878

IUPACethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)C(F)n1c(C)csc1=O
InChIInChI=1S/C8H10FNO3S/c1-3-13-7(11)6(9)10-5(2)4-14-8(10)12/h4,6H,3H2,1-2H3
InChIKeyDRTZKUJCMRRIIC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 81297878) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID81297878
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Nameethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)C(F)n1c(C)csc1=O
InChIInChI=1S/C8H10FNO3S/c1-3-13-7(11)6(9)10-5(2)4-14-8(10)12/h4,6H,3H2,1-2H3
InChIKeyDRTZKUJCMRRIIC-UHFFFAOYSA-N
XLogP1.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 81297878) is ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is CCOC(=O)C(F)n1c(C)csc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is DRTZKUJCMRRIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-3-13-7(11)6(9)10-5(2)4-14-8(10)12/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 219.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 81297878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).