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

C18H15FN2O2S — CID 3145375

IUPAC2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-6-8-12(9-7-11)17-15(10-16(22)23)24-18(21-17)20-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyIACJAPQPJLVNTH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.63
Rot. Bonds5

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

2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145375) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145375
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-6-8-12(9-7-11)17-15(10-16(22)23)24-18(21-17)20-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyIACJAPQPJLVNTH-UHFFFAOYSA-N
XLogP4.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
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-(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-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 3145375) is 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IACJAPQPJLVNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11-6-8-12(9-7-11)17-15(10-16(22)23)24-18(21-17)20-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).