6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

C16H12N2S — CID 690025

IUPAC6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
InChIInChI=1S/C16H12N2S/c1-11-7-8-14-15(9-11)19-16-17-13(10-18(14)16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyDOMRGJMKEBORFK-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.52
Rot. Bonds1

About 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 690025) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID690025
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
InChIInChI=1S/C16H12N2S/c1-11-7-8-14-15(9-11)19-16-17-13(10-18(14)16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyDOMRGJMKEBORFK-UHFFFAOYSA-N
XLogP4.52
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 690025) is 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc2c(c1)sc1nc(-c3ccccc3)cn12.
What is the InChIKey of 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is DOMRGJMKEBORFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-11-7-8-14-15(9-11)19-16-17-13(10-18(14)16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 264.35 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 690025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).