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

C16H12N2OS — CID 657882

IUPAC6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
InChIInChI=1S/C16H12N2OS/c1-19-12-7-8-14-15(9-12)20-16-17-13(10-18(14)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMFSOQUSERXLGEH-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.22
Rot. Bonds2

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

6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 657882) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID657882
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
InChIInChI=1S/C16H12N2OS/c1-19-12-7-8-14-15(9-12)20-16-17-13(10-18(14)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMFSOQUSERXLGEH-UHFFFAOYSA-N
XLogP4.22
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 657882) is 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12.
What is the InChIKey of 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is MFSOQUSERXLGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-19-12-7-8-14-15(9-12)20-16-17-13(10-18(14)16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 280.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 657882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).