6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

C12H7BrN2O2S — CID 90478004

IUPAC6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nc(-c3cccc(Br)c3)cn12
InChIInChI=1S/C12H7BrN2O2S/c13-8-3-1-2-7(4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeyVALRASYDSTUACR-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.52
Rot. Bonds2

About 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (PubChem CID 90478004) has the molecular formula C12H7BrN2O2S and a molecular weight of 323.17 g/mol. Its IUPAC name is 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
PubChem CID90478004
Molecular FormulaC12H7BrN2O2S
Molecular Weight323.17 g/mol
Exact Mass321.94
IUPAC Name6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nc(-c3cccc(Br)c3)cn12
InChIInChI=1S/C12H7BrN2O2S/c13-8-3-1-2-7(4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeyVALRASYDSTUACR-UHFFFAOYSA-N
XLogP3.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757030
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 25219646
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
CID 103097572
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 146063378
thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42197452
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (CID 90478004) is 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is O=C(O)c1csc2nc(-c3cccc(Br)c3)cn12.
What is the InChIKey of 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The InChIKey is VALRASYDSTUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2S/c13-8-3-1-2-7(4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17).
What are the key properties of 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid has a molecular weight of 323.17 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 90478004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).