5-bromo-2-(1,2-thiazol-5-yl)benzoic acid

C10H6BrNO2S — CID 130986270

IUPAC5-bromo-2-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1ccns1
InChIInChI=1S/C10H6BrNO2S/c11-6-1-2-7(8(5-6)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14)
InChIKeyMRFMNIOALZJPJE-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid

5-bromo-2-(1,2-thiazol-5-yl)benzoic acid (PubChem CID 130986270) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(1,2-thiazol-5-yl)benzoic acid
PubChem CID130986270
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name5-bromo-2-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1ccns1
InChIInChI=1S/C10H6BrNO2S/c11-6-1-2-7(8(5-6)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14)
InChIKeyMRFMNIOALZJPJE-UHFFFAOYSA-N
XLogP3.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
5-bromo-2-(1,3-thiazol-2-yl)benzoic acid
CID 169450844
2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid
CID 130826259
5-bromo-2-(2,4-dimethylphenyl)benzoic acid
CID 114032341
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
CID 144689894
CID 144689894
5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340
5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzoic acid
CID 114896284
2,4-dibromobenzoic acid
CID 11896
5-bromo-2-(carboxymethyl)benzoic acid
CID 10634987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid?
The IUPAC name of 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid (CID 130986270) is 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid.
What is the SMILES notation for 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid?
The canonical SMILES for 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid is O=C(O)c1cc(Br)ccc1-c1ccns1.
What is the InChIKey of 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid?
The InChIKey is MRFMNIOALZJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-6-1-2-7(8(5-6)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14).
What are the key properties of 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid?
5-bromo-2-(1,2-thiazol-5-yl)benzoic acid has a molecular weight of 284.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,2-thiazol-5-yl)benzoic acid is sourced from PubChem (CID 130986270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).