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

C11H7BrFNO2S — CID 82810054

IUPAC2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H7BrFNO2S/c12-8-3-6(1-2-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyZCZHLKAPCMDIFY-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.34
Rot. Bonds3

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

2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 82810054) has the molecular formula C11H7BrFNO2S and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID82810054
Molecular FormulaC11H7BrFNO2S
Molecular Weight316.15 g/mol
Exact Mass314.94
IUPAC Name2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H7BrFNO2S/c12-8-3-6(1-2-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyZCZHLKAPCMDIFY-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.34
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-(7-bromo-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43326631
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
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-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 82810054) is 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZCZHLKAPCMDIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2S/c12-8-3-6(1-2-9(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-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 316.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82810054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).