5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid

C10H6Br2N2O2S — CID 107981281

IUPAC5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2cc(Br)cc(Br)c2)nc1C(=O)O
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(2-6(12)3-5)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyGGHXYRKPAKDAMV-UHFFFAOYSA-N
MW378.05 g/mol
LogP3.62
Rot. Bonds2

About 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107981281) has the molecular formula C10H6Br2N2O2S and a molecular weight of 378.05 g/mol. Its IUPAC name is 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID107981281
Molecular FormulaC10H6Br2N2O2S
Molecular Weight378.05 g/mol
Exact Mass375.85
IUPAC Name5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2cc(Br)cc(Br)c2)nc1C(=O)O
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(2-6(12)3-5)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyGGHXYRKPAKDAMV-UHFFFAOYSA-N
XLogP3.62
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 107970764
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 143930439
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199862
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid (CID 107981281) is 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2cc(Br)cc(Br)c2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GGHXYRKPAKDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S/c11-5-1-4(2-6(12)3-5)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16).
What are the key properties of 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 378.05 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107981281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).