2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid

C19H17FN2O2S — CID 23770800

IUPAC2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-12-7-9-13(10-8-12)18-16(11-17(23)24)25-19(22-18)21-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyQVCNCVLPEDOFCG-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.88
Rot. Bonds6

About 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 23770800) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID23770800
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-12-7-9-13(10-8-12)18-16(11-17(23)24)25-19(22-18)21-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyQVCNCVLPEDOFCG-UHFFFAOYSA-N
XLogP4.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[2-(2-fluoroanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342304
2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
CID 7318710
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956720
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880
2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid (CID 23770800) is 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid is CCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QVCNCVLPEDOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-12-7-9-13(10-8-12)18-16(11-17(23)24)25-19(22-18)21-15-6-4-3-5-14(15)20/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 23770800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).