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

C5H5BrN2O2S — CID 83824482

IUPAC2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
SMILESNc1nc(Br)c(CC(=O)O)s1
InChIInChI=1S/C5H5BrN2O2S/c6-4-2(1-3(9)10)11-5(7)8-4/h1H2,(H2,7,8)(H,9,10)
InChIKeyQTGOOVBZJMFBBT-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.11
Rot. Bonds2

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

2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid (PubChem CID 83824482) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
PubChem CID83824482
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
SMILESNc1nc(Br)c(CC(=O)O)s1
InChIInChI=1S/C5H5BrN2O2S/c6-4-2(1-3(9)10)11-5(7)8-4/h1H2,(H2,7,8)(H,9,10)
InChIKeyQTGOOVBZJMFBBT-UHFFFAOYSA-N
XLogP1.11
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
CID 83824395
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
CID 20788301
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
CID 20788300
1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
CID 141308569
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
CID 83969992
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-oxoacetic acid
CID 87641481
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
5-bromo-2-(carboxymethyl)thiophene-3-carboxylic acid
CID 82667121
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid (CID 83824482) is 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid is Nc1nc(Br)c(CC(=O)O)s1.
What is the InChIKey of 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid?
The InChIKey is QTGOOVBZJMFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-4-2(1-3(9)10)11-5(7)8-4/h1H2,(H2,7,8)(H,9,10).
What are the key properties of 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid?
2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid has a molecular weight of 237.08 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 83824482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).