2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole

C16H11BrN2S — CID 682007

IUPAC2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C16H11BrN2S/c1-10-2-7-14-15(8-10)20-16-18-13(9-19(14)16)11-3-5-12(17)6-4-11/h2-9H,1H3
InChIKeyWPJHTVSOCQCNBC-UHFFFAOYSA-N
MW343.25 g/mol
LogP5.29
Rot. Bonds1

About 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole

2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 682007) has the molecular formula C16H11BrN2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID682007
Molecular FormulaC16H11BrN2S
Molecular Weight343.25 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C16H11BrN2S/c1-10-2-7-14-15(8-10)20-16-18-13(9-19(14)16)11-3-5-12(17)6-4-11/h2-9H,1H3
InChIKeyWPJHTVSOCQCNBC-UHFFFAOYSA-N
XLogP5.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 55.29
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-Bromophenyl)benzo[d]imidazo[2,1-b]thiazole
CID 667715
2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
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
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
4-(6-Bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 54582537

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole (CID 682007) is 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12.
What is the InChIKey of 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WPJHTVSOCQCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2S/c1-10-2-7-14-15(8-10)20-16-18-13(9-19(14)16)11-3-5-12(17)6-4-11/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 343.25 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 682007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).