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

C18H16N2OS — CID 19209596

IUPAC2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4ccccc4n3c2C)cc1
InChIInChI=1S/C18H16N2OS/c1-3-21-14-10-8-13(9-11-14)17-12(2)20-15-6-4-5-7-16(15)22-18(20)19-17/h4-11H,3H2,1-2H3
InChIKeyXXHYGZFKLDDTRB-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.92
Rot. Bonds3

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

2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209596) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209596
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4ccccc4n3c2C)cc1
InChIInChI=1S/C18H16N2OS/c1-3-21-14-10-8-13(9-11-14)17-12(2)20-15-6-4-5-7-16(15)22-18(20)19-17/h4-11H,3H2,1-2H3
InChIKeyXXHYGZFKLDDTRB-UHFFFAOYSA-N
XLogP4.92
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
ethyl N-[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]-N-ethoxycarbonylcarbamate
CID 12831515
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209940
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 12720089
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 19209692

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (CID 19209596) is 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccc(-c2nc3sc4ccccc4n3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is XXHYGZFKLDDTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-3-21-14-10-8-13(9-11-14)17-12(2)20-15-6-4-5-7-16(15)22-18(20)19-17/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 308.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).