6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole

C20H20N2O2S — CID 19209649

IUPAC6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-4-23-15-8-6-14(7-9-15)19-13(3)22-17-11-10-16(24-5-2)12-18(17)25-20(22)21-19/h6-12H,4-5H2,1-3H3
InChIKeyWUCUIIOBFSJIEO-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.32
Rot. Bonds5

About 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole

6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209649) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209649
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-4-23-15-8-6-14(7-9-15)19-13(3)22-17-11-10-16(24-5-2)12-18(17)25-20(22)21-19/h6-12H,4-5H2,1-3H3
InChIKeyWUCUIIOBFSJIEO-UHFFFAOYSA-N
XLogP5.32
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209596
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 12720089
2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205416
2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
CID 82167442
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205395

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (CID 19209649) is 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2C)cc1.
What is the InChIKey of 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WUCUIIOBFSJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-23-15-8-6-14(7-9-15)19-13(3)22-17-11-10-16(24-5-2)12-18(17)25-20(22)21-19/h6-12H,4-5H2,1-3H3.
What are the key properties of 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 352.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).