6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole

C17H14N2OS — CID 5132810

IUPAC6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C17H14N2OS/c1-11-3-5-12(6-4-11)14-10-19-15-8-7-13(20-2)9-16(15)21-17(19)18-14/h3-10H,1-2H3
InChIKeyMIJQKBOAXDFNIZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.53
Rot. Bonds2

About 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole

6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 5132810) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID5132810
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C17H14N2OS/c1-11-3-5-12(6-4-11)14-10-19-15-8-7-13(20-2)9-16(15)21-17(19)18-14/h3-10H,1-2H3
InChIKeyMIJQKBOAXDFNIZ-UHFFFAOYSA-N
XLogP4.53
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 5132810) is 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12.
What is the InChIKey of 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is MIJQKBOAXDFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-3-5-12(6-4-11)14-10-19-15-8-7-13(20-2)9-16(15)21-17(19)18-14/h3-10H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 294.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 5132810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).