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

C12H10FNO2S — CID 62308557

IUPAC2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-7-2-3-9(10(13)4-7)12-14-8(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyLMPJSQAQGIMBKI-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.88
Rot. Bonds3

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

2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 62308557) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID62308557
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-7-2-3-9(10(13)4-7)12-14-8(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyLMPJSQAQGIMBKI-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 82810054
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-amine
CID 83107735
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
2-[2-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991049
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methyl]propanedioic acid
CID 68655394
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 62308557) is 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)O)cs2)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LMPJSQAQGIMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-2-3-9(10(13)4-7)12-14-8(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 62308557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).