2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

C19H18N2OS — CID 19209742

IUPAC2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccccc1-c1cn2c(n1)sc1ccc(C)c(C)c12
InChIInChI=1S/C19H18N2OS/c1-4-22-16-8-6-5-7-14(16)15-11-21-18-13(3)12(2)9-10-17(18)23-19(21)20-15/h5-11H,4H2,1-3H3
InChIKeyPXQXHGMPKUUYRF-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.23
Rot. Bonds3

About 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209742) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209742
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccccc1-c1cn2c(n1)sc1ccc(C)c(C)c12
InChIInChI=1S/C19H18N2OS/c1-4-22-16-8-6-5-7-14(16)15-11-21-18-13(3)12(2)9-10-17(18)23-19(21)20-15/h5-11H,4H2,1-3H3
InChIKeyPXQXHGMPKUUYRF-UHFFFAOYSA-N
XLogP5.23
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209602
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209704
2-(2-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060848
2-(2-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridine;hydroiodide
CID 19214751
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
CID 23608896
8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 4066054
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
8-bromo-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridine
CID 115405033
2-(4-fluorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209694

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (CID 19209742) is 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccccc1-c1cn2c(n1)sc1ccc(C)c(C)c12.
What is the InChIKey of 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is PXQXHGMPKUUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-4-22-16-8-6-5-7-14(16)15-11-21-18-13(3)12(2)9-10-17(18)23-19(21)20-15/h5-11H,4H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 322.43 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).