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

C22H16N2S2 — CID 138970098

IUPAC1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C22H16N2S2/c1-15-11-13-17(14-12-15)25-21-20(16-7-3-2-4-8-16)23-22-24(21)18-9-5-6-10-19(18)26-22/h2-14H,1H3
InChIKeyHJSVBOIJILKVAT-UHFFFAOYSA-N
MW372.52 g/mol
LogP6.68
Rot. Bonds3

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

1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 138970098) has the molecular formula C22H16N2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID138970098
Molecular FormulaC22H16N2S2
Molecular Weight372.52 g/mol
Exact Mass372.08
IUPAC Name1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C22H16N2S2/c1-15-11-13-17(14-12-15)25-21-20(16-7-3-2-4-8-16)23-22-24(21)18-9-5-6-10-19(18)26-22/h2-14H,1H3
InChIKeyHJSVBOIJILKVAT-UHFFFAOYSA-N
XLogP6.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 138970098) is 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HJSVBOIJILKVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S2/c1-15-11-13-17(14-12-15)25-21-20(16-7-3-2-4-8-16)23-22-24(21)18-9-5-6-10-19(18)26-22/h2-14H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 372.52 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 138970098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).