2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid

C12H11FN2O2S — CID 55112458

IUPAC2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1cccc(F)c1)c1ncc(C(=O)O)s1
InChIInChI=1S/C12H11FN2O2S/c1-2-15(9-5-3-4-8(13)6-9)12-14-7-10(18-12)11(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyBFWPHKHKTWDEJA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.14
Rot. Bonds4

About 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid

2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 55112458) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID55112458
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1cccc(F)c1)c1ncc(C(=O)O)s1
InChIInChI=1S/C12H11FN2O2S/c1-2-15(9-5-3-4-8(13)6-9)12-14-7-10(18-12)11(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyBFWPHKHKTWDEJA-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
CID 113403969
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
4-chloro-2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carbaldehyde
CID 80687160
2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 55112410
2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
4-[(N-ethyl-3-fluoroanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728060
1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113565
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid (CID 55112458) is 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid is CCN(c1cccc(F)c1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BFWPHKHKTWDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-15(9-5-3-4-8(13)6-9)12-14-7-10(18-12)11(16)17/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55112458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).