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

C11H7BrClNO2S — CID 70373613

IUPAC2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2Cl)sc1Br
InChIInChI=1S/C11H7BrClNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16)
InChIKeyJJHFVFJYZJXXFJ-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.85
Rot. Bonds3

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

2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 70373613) has the molecular formula C11H7BrClNO2S and a molecular weight of 332.61 g/mol. Its IUPAC name is 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID70373613
Molecular FormulaC11H7BrClNO2S
Molecular Weight332.61 g/mol
Exact Mass330.91
IUPAC Name2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2Cl)sc1Br
InChIInChI=1S/C11H7BrClNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16)
InChIKeyJJHFVFJYZJXXFJ-UHFFFAOYSA-N
XLogP3.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.85
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-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536
3-[5-bromo-2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 84608719
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetate
CID 148550494
2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
CID 84756419
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 70373613) is 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccccc2Cl)sc1Br.
What is the InChIKey of 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JJHFVFJYZJXXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2S/c12-10-8(5-9(15)16)14-11(17-10)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 332.61 g/mol, XLogP of 3.85, 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-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 70373613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).