ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate

C14H15FN2O2S — CID 80575049

IUPACethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O2S/c1-3-19-13(18)8-11-9-20-14(16-11)17(2)12-6-4-10(15)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyNKIYYIDQFMITEO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575049) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80575049
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O2S/c1-3-19-13(18)8-11-9-20-14(16-11)17(2)12-6-4-10(15)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyNKIYYIDQFMITEO-UHFFFAOYSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
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-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
4-N-[[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]methyl]-1-N,1-N-dimethyl-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 143695876
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate (CID 80575049) is ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NKIYYIDQFMITEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-3-19-13(18)8-11-9-20-14(16-11)17(2)12-6-4-10(15)5-7-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 294.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).