2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

C11H7BrFNO2S — CID 19800536

IUPAC2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)sc1Br
InChIInChI=1S/C11H7BrFNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-1-3-7(13)4-2-6/h1-4H,5H2,(H,15,16)
InChIKeyZTYGRNJGZSIEBE-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.34
Rot. Bonds3

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

2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 19800536) has the molecular formula C11H7BrFNO2S and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID19800536
Molecular FormulaC11H7BrFNO2S
Molecular Weight316.15 g/mol
Exact Mass314.94
IUPAC Name2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)sc1Br
InChIInChI=1S/C11H7BrFNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-1-3-7(13)4-2-6/h1-4H,5H2,(H,15,16)
InChIKeyZTYGRNJGZSIEBE-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-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
CID 19800550
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetate
CID 148550494
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
methyl 2-[5-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 148550493
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[5-(3-bromo-4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 174624909
3-[5-bromo-2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 84608719

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 19800536) is 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cc2)sc1Br.
What is the InChIKey of 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZTYGRNJGZSIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-1-3-7(13)4-2-6/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[5-bromo-2-(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-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 19800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).