6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C10H5BrN2O2S2 — CID 107355251

IUPAC6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cc(Br)cs3)nc2s1
InChIInChI=1S/C10H5BrN2O2S2/c11-5-1-7(16-4-5)6-2-13-3-8(9(14)15)17-10(13)12-6/h1-4H,(H,14,15)
InChIKeyNTKOOZRRUISLHH-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds2

About 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 107355251) has the molecular formula C10H5BrN2O2S2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID107355251
Molecular FormulaC10H5BrN2O2S2
Molecular Weight329.20 g/mol
Exact Mass327.90
IUPAC Name6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cc(Br)cs3)nc2s1
InChIInChI=1S/C10H5BrN2O2S2/c11-5-1-7(16-4-5)6-2-13-3-8(9(14)15)17-10(13)12-6/h1-4H,(H,14,15)
InChIKeyNTKOOZRRUISLHH-UHFFFAOYSA-N
XLogP3.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 107355250
6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
methyl 6-(5-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298989
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384554
3-(4-bromothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82307650
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 104752357
2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyrimidine
CID 107355573
[2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 107355567
2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
CID 107354657
7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 83885339

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 107355251) is 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is O=C(O)c1cn2cc(-c3cc(Br)cs3)nc2s1.
What is the InChIKey of 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is NTKOOZRRUISLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O2S2/c11-5-1-7(16-4-5)6-2-13-3-8(9(14)15)17-10(13)12-6/h1-4H,(H,14,15).
What are the key properties of 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 329.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 107355251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).