2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole

C22H16N2S — CID 162419016

IUPAC2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2S/c1-15-11-13-16(14-12-15)20-21(17-7-3-2-4-8-17)24-18-9-5-6-10-19(18)25-22(24)23-20/h2-14H,1H3
InChIKeyYAOAWMJDXWCGBW-UHFFFAOYSA-N
MW340.45 g/mol
LogP6.19
Rot. Bonds2

About 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole

2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 162419016) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID162419016
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2S/c1-15-11-13-16(14-12-15)20-21(17-7-3-2-4-8-17)24-18-9-5-6-10-19(18)25-22(24)23-20/h2-14H,1H3
InChIKeyYAOAWMJDXWCGBW-UHFFFAOYSA-N
XLogP6.19
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
2-(4-Benzylpiperazin-1-yl)-1,3-benzothiazole
CID 1484933
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
Pifithrin-Beta
CID 443278
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
2-(4-Pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11509560
7-Fluoro-2-(4-dimethylaminophenyl)-imidazo[2,1-b]benzothiazole
CID 24757875
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylaniline
CID 28325580
CID 6603392
CID 6603392
2-(4-Methylbenzyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 15991403
6-(4-Fluorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole (CID 162419016) is 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is YAOAWMJDXWCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S/c1-15-11-13-16(14-12-15)20-21(17-7-3-2-4-8-17)24-18-9-5-6-10-19(18)25-22(24)23-20/h2-14H,1H3.
What are the key properties of 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole?
2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 340.45 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 162419016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).