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

C11H8BrNO3S — CID 43286853

IUPAC2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2Br)csc1=O
InChIInChI=1S/C11H8BrNO3S/c12-8-4-2-1-3-7(8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyXDAWPRMUHPJMJJ-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.42
Rot. Bonds3

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

2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 43286853) has the molecular formula C11H8BrNO3S and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID43286853
Molecular FormulaC11H8BrNO3S
Molecular Weight314.16 g/mol
Exact Mass312.94
IUPAC Name2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2Br)csc1=O
InChIInChI=1S/C11H8BrNO3S/c12-8-4-2-1-3-7(8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyXDAWPRMUHPJMJJ-UHFFFAOYSA-N
XLogP2.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
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2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
CID 62090846
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
2-[4-(4-cyanophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768078
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
3-[4-(5-bromo-2-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82970922
2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936551
4-[4-(4-bromo-2-chlorophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 82779511
4-[4-(3-bromophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286966
3-[4-(4-bromothiophen-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 107355185
2-(4-butan-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 60917585

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 43286853) is 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2Br)csc1=O.
What is the InChIKey of 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is XDAWPRMUHPJMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S/c12-8-4-2-1-3-7(8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 314.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 43286853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).