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

C8H11NO3S — CID 43214089

IUPACethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C8H11NO3S/c1-3-12-7(10)4-9-6(2)5-13-8(9)11/h5H,3-4H2,1-2H3
InChIKeyNKSFYJVDUBJULL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.78
Rot. Bonds3

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

ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 43214089) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID43214089
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Nameethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C8H11NO3S/c1-3-12-7(10)4-9-6(2)5-13-8(9)11/h5H,3-4H2,1-2H3
InChIKeyNKSFYJVDUBJULL-UHFFFAOYSA-N
XLogP0.78
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 43214089) is ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is CCOC(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is NKSFYJVDUBJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-12-7(10)4-9-6(2)5-13-8(9)11/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 201.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 43214089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).