2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

C18H16N2OS — CID 19209631

IUPAC2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1
InChIInChI=1S/C18H16N2OS/c1-3-12-4-6-13(7-5-12)15-11-20-16-9-8-14(21-2)10-17(16)22-18(20)19-15/h4-11H,3H2,1-2H3
InChIKeyQJXMKLAVHOBNQJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.79
Rot. Bonds3

About 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209631) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209631
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1
InChIInChI=1S/C18H16N2OS/c1-3-12-4-6-13(7-5-12)15-11-20-16-9-8-14(21-2)10-17(16)22-18(20)19-15/h4-11H,3H2,1-2H3
InChIKeyQJXMKLAVHOBNQJ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
CID 19209873
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 66803372
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
N'-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]methanediamine
CID 155215032
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (CID 19209631) is 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is CCc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is QJXMKLAVHOBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-3-12-4-6-13(7-5-12)15-11-20-16-9-8-14(21-2)10-17(16)22-18(20)19-15/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 308.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).