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

C11H7F2NO2S — CID 43658690

IUPAC2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H7F2NO2S/c12-8-2-1-6(3-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyYMZPOYXKTZBOSW-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.72
Rot. Bonds3

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

2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43658690) has the molecular formula C11H7F2NO2S and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID43658690
Molecular FormulaC11H7F2NO2S
Molecular Weight255.24 g/mol
Exact Mass255.02
IUPAC Name2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H7F2NO2S/c12-8-2-1-6(3-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyYMZPOYXKTZBOSW-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 82810054
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid
CID 83295852
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
2-[2-[(3,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 83969637
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 43658690) is 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YMZPOYXKTZBOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-8-2-1-6(3-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43658690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).