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

C11H8BrNO2S — CID 39418910

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1scnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO2S/c12-8-3-1-7(2-4-8)11-9(5-10(14)15)16-6-13-11/h1-4,6H,5H2,(H,14,15)
InChIKeyGOBXVIYGMVMMKC-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.20
Rot. Bonds3

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

2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 39418910) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID39418910
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1scnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO2S/c12-8-3-1-7(2-4-8)11-9(5-10(14)15)16-6-13-11/h1-4,6H,5H2,(H,14,15)
InChIKeyGOBXVIYGMVMMKC-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-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39349792
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
5-(carboxymethyl)-1,3-thiazole-4-carboxylic acid
CID 82405580
5-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117214584
2-(4-nitro-1,3-thiazol-5-yl)acetic acid
CID 83876882
2-[5-(2-bromoethyl)-1,3-thiazol-4-yl]acetic acid
CID 174616560
2-[4-(4-bromophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450677
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
3-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzoic acid
CID 18613280
2-[2-(4-butoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20993428
N-(4-morpholin-4-ylphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)acetamide
CID 166351501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid (CID 39418910) is 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1scnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GOBXVIYGMVMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c12-8-3-1-7(2-4-8)11-9(5-10(14)15)16-6-13-11/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-bromophenyl)-1,3-thiazol-5-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-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39418910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).