ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate

C13H11F2NO2S — CID 78990286

IUPACethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-12(17)6-9-7-19-13(16-9)8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3
InChIKeyTUIALLVNIHSELL-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 78990286) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID78990286
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Nameethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-12(17)6-9-7-19-13(16-9)8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3
InChIKeyTUIALLVNIHSELL-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]acetate
CID 86721181
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate (CID 78990286) is ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is TUIALLVNIHSELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-2-18-12(17)6-9-7-19-13(16-9)8-3-4-10(14)11(15)5-8/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 283.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78990286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).