2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole

C15H9BrN2S — CID 667715

IUPAC2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESBrc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H9BrN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H
InChIKeyKEPQCZGPWRNPCZ-UHFFFAOYSA-N
MW329.22 g/mol
LogP4.98
Rot. Bonds1

About 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole

2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 667715) has the molecular formula C15H9BrN2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID667715
Molecular FormulaC15H9BrN2S
Molecular Weight329.22 g/mol
Exact Mass327.97
IUPAC Name2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESBrc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H9BrN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H
InChIKeyKEPQCZGPWRNPCZ-UHFFFAOYSA-N
XLogP4.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pifithrin-Beta
CID 443278
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
3-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazole
CID 4574587
2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
2-(4-Nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 4587369
N-{4-[2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}-1,3-benzothiazol-2-amine
CID 9842708
Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-imidazol-1-yl-propyl)-phenyl]-amine
CID 9870337
5-[(4-Bromophenyl)methyl]-2-(2-thienyl)-5h-imidazo[4,5-c]pyridine
CID 10361780
2-(4-Pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11509560
4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
CID 24757797
7-Fluoro-2-(4-dimethylaminophenyl)-imidazo[2,1-b]benzothiazole
CID 24757875
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylaniline
CID 28325580

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 667715) is 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole is Brc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KEPQCZGPWRNPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H.
What are the key properties of 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole?
2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 329.22 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 667715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).