ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate

C13H11F2NO2S — CID 28839535

IUPACethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)6-12-16-11(7-19-12)9-5-8(14)3-4-10(9)15/h3-5,7H,2,6H2,1H3
InChIKeyXVNFGIQIVNUKNF-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate

ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate (PubChem CID 28839535) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
PubChem CID28839535
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Nameethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)6-12-16-11(7-19-12)9-5-8(14)3-4-10(9)15/h3-5,7H,2,6H2,1H3
InChIKeyXVNFGIQIVNUKNF-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

2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
CID 82123007
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55129663
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetate
CID 16960560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate (CID 28839535) is ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is XVNFGIQIVNUKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-2-18-13(17)6-12-16-11(7-19-12)9-5-8(14)3-4-10(9)15/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate?
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-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-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 28839535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).