2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid

C11H8BrNO2S — CID 19800550

IUPAC2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H8BrNO2S/c12-10-8(6-9(14)15)13-11(16-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeySGEREEYLMJTVOM-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid

2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 19800550) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
PubChem CID19800550
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H8BrNO2S/c12-10-8(6-9(14)15)13-11(16-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeySGEREEYLMJTVOM-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536
methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetate
CID 148550494
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
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
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 608664
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
methyl 2-[5-bromo-2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 148550488
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
3-[5-bromo-2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 84608719
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid (CID 19800550) is 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1nc(-c2ccccc2)sc1Br.
What is the InChIKey of 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is SGEREEYLMJTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c12-10-8(6-9(14)15)13-11(16-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid?
2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 298.16 g/mol, XLogP of 3.20, 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-phenyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 19800550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).