[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C15H14FNO5S — CID 8814476

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2c(C)csc2=O)cc1F
InChIInChI=1S/C15H14FNO5S/c1-9-8-23-15(20)17(9)6-14(19)22-7-12(18)10-3-4-13(21-2)11(16)5-10/h3-5,8H,6-7H2,1-2H3
InChIKeyNCVWELBYSOIHEG-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.79
Rot. Bonds6

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8814476) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8814476
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2c(C)csc2=O)cc1F
InChIInChI=1S/C15H14FNO5S/c1-9-8-23-15(20)17(9)6-14(19)22-7-12(18)10-3-4-13(21-2)11(16)5-10/h3-5,8H,6-7H2,1-2H3
InChIKeyNCVWELBYSOIHEG-UHFFFAOYSA-N
XLogP1.79
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783690
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306119
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate
CID 8538196
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7546006
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7537155
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55375066
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8586891
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130660

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8814476) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is COc1ccc(C(=O)COC(=O)Cn2c(C)csc2=O)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is NCVWELBYSOIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-9-8-23-15(20)17(9)6-14(19)22-7-12(18)10-3-4-13(21-2)11(16)5-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 339.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8814476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).