4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid

C13H12FNO2S — CID 113403969

IUPAC4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
SMILESCCN(c1cccc(F)c1)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO2S/c1-2-15(10-5-3-4-9(14)6-10)11-7-12(13(16)17)18-8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGSGUOMSUIWUAFY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.74
Rot. Bonds4

About 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid

4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid (PubChem CID 113403969) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
PubChem CID113403969
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
SMILESCCN(c1cccc(F)c1)c1csc(C(=O)O)c1
InChIInChI=1S/C13H12FNO2S/c1-2-15(10-5-3-4-9(14)6-10)11-7-12(13(16)17)18-8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGSGUOMSUIWUAFY-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 55112458
2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
3-[4-(N-ethyl-3-fluoroanilino)phenyl]prop-2-enoic acid
CID 76999912
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
4-[(N-ethyl-3-fluoroanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728060
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid?
The IUPAC name of 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid (CID 113403969) is 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid is CCN(c1cccc(F)c1)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid?
The InChIKey is GSGUOMSUIWUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-2-15(10-5-3-4-9(14)6-10)11-7-12(13(16)17)18-8-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid?
4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid is sourced from PubChem (CID 113403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).