6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

C18H16N2O2S — CID 19209658

IUPAC6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3OC)cn12
InChIInChI=1S/C18H16N2O2S/c1-3-22-12-8-9-15-17(10-12)23-18-19-14(11-20(15)18)13-6-4-5-7-16(13)21-2/h4-11H,3H2,1-2H3
InChIKeyREWJBPPYJABJJL-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.62
Rot. Bonds4

About 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209658) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID19209658
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3OC)cn12
InChIInChI=1S/C18H16N2O2S/c1-3-22-12-8-9-15-17(10-12)23-18-19-14(11-20(15)18)13-6-4-5-7-16(13)21-2/h4-11H,3H2,1-2H3
InChIKeyREWJBPPYJABJJL-UHFFFAOYSA-N
XLogP4.62
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 19209658) is 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is CCOc1ccc2c(c1)sc1nc(-c3ccccc3OC)cn12.
What is the InChIKey of 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is REWJBPPYJABJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-3-22-12-8-9-15-17(10-12)23-18-19-14(11-20(15)18)13-6-4-5-7-16(13)21-2/h4-11H,3H2,1-2H3.
What are the key properties of 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 324.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).