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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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).