[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C20H16FNO4S — CID 8824580

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H16FNO4S/c1-2-25-16-9-5-13(6-10-16)18(23)11-26-20(24)17-12-27-19(22-17)14-3-7-15(21)8-4-14/h3-10,12H,2,11H2,1H3
InChIKeyFQHKXFRILQSEOA-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.39
Rot. Bonds7

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824580) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824580
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H16FNO4S/c1-2-25-16-9-5-13(6-10-16)18(23)11-26-20(24)17-12-27-19(22-17)14-3-7-15(21)8-4-14/h3-10,12H,2,11H2,1H3
InChIKeyFQHKXFRILQSEOA-UHFFFAOYSA-N
XLogP4.39
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46640740
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 8807138
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 167973884
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824379
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824438
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824580) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CCOc1ccc(C(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is FQHKXFRILQSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-2-25-16-9-5-13(6-10-16)18(23)11-26-20(24)17-12-27-19(22-17)14-3-7-15(21)8-4-14/h3-10,12H,2,11H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).