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

C19H18N2OS — CID 19209609

IUPAC2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2C)cc1
InChIInChI=1S/C19H18N2OS/c1-4-22-15-8-6-14(7-9-15)18-13(3)21-16-10-5-12(2)11-17(16)23-19(21)20-18/h5-11H,4H2,1-3H3
InChIKeyXAPCLJNGJZPDPH-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.23
Rot. Bonds3

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

2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209609) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209609
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2C)cc1
InChIInChI=1S/C19H18N2OS/c1-4-22-15-8-6-14(7-9-15)18-13(3)21-16-10-5-12(2)11-17(16)23-19(21)20-18/h5-11H,4H2,1-3H3
InChIKeyXAPCLJNGJZPDPH-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole (CID 19209609) is 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is XAPCLJNGJZPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-4-22-15-8-6-14(7-9-15)18-13(3)21-16-10-5-12(2)11-17(16)23-19(21)20-18/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole?
2-(4-ethoxyphenyl)-1,6-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-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).