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

C18H16N2O2S — CID 735306

IUPAC2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C)ccc23)c(OC)c1
InChIInChI=1S/C18H16N2O2S/c1-11-4-7-15-17(8-11)23-18-19-14(10-20(15)18)13-6-5-12(21-2)9-16(13)22-3/h4-10H,1-3H3
InChIKeyVHWWBURPXIXUBV-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.54
Rot. Bonds3

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

2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 735306) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID735306
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C)ccc23)c(OC)c1
InChIInChI=1S/C18H16N2O2S/c1-11-4-7-15-17(8-11)23-18-19-14(10-20(15)18)13-6-5-12(21-2)9-16(13)22-3/h4-10H,1-3H3
InChIKeyVHWWBURPXIXUBV-UHFFFAOYSA-N
XLogP4.54
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
2-(2,4-dimethylphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523855
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 4066054
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole (CID 735306) is 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2cn3c(n2)sc2cc(C)ccc23)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is VHWWBURPXIXUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-4-7-15-17(8-11)23-18-19-14(10-20(15)18)13-6-5-12(21-2)9-16(13)22-3/h4-10H,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 324.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 735306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).