4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

C15H10BrN3S — CID 54582537

IUPAC4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESNc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1
InChIInChI=1S/C15H10BrN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyXFOXWGZVQYVSIG-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.56
Rot. Bonds1

About 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (PubChem CID 54582537) has the molecular formula C15H10BrN3S and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
PubChem CID54582537
Molecular FormulaC15H10BrN3S
Molecular Weight344.24 g/mol
Exact Mass342.98
IUPAC Name4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESNc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1
InChIInChI=1S/C15H10BrN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyXFOXWGZVQYVSIG-UHFFFAOYSA-N
XLogP4.56
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
2-(4-Bromophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 667715
2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
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-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 877648
2-(3-Nitrophenyl)imidazo(2,1-B)(1,3)benzothiazole
CID 1477847
2-(4-Bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole
CID 682007
5-{1-[(2-Bromophenyl)methyl]benzimidazol-2-yl}-1,3-thiazole
CID 1044988

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The IUPAC name of 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (CID 54582537) is 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.
What is the SMILES notation for 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The canonical SMILES for 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is Nc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1.
What is the InChIKey of 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The InChIKey is XFOXWGZVQYVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3S/c16-10-3-6-13-14(7-10)20-15-18-12(8-19(13)15)9-1-4-11(17)5-2-9/h1-8H,17H2.
What are the key properties of 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline has a molecular weight of 344.24 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is sourced from PubChem (CID 54582537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).