6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

C20H20N2OS — CID 3968689

IUPAC6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCCCc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C20H20N2OS/c1-3-4-5-14-6-11-18-19(12-14)24-20-21-17(13-22(18)20)15-7-9-16(23-2)10-8-15/h6-13H,3-5H2,1-2H3
InChIKeyXEKYWPTXQGRTIM-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.57
Rot. Bonds5

About 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 3968689) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID3968689
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCCCc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C20H20N2OS/c1-3-4-5-14-6-11-18-19(12-14)24-20-21-17(13-22(18)20)15-7-9-16(23-2)10-8-15/h6-13H,3-5H2,1-2H3
InChIKeyXEKYWPTXQGRTIM-UHFFFAOYSA-N
XLogP5.57
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
CID 19209873
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209863
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
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
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 3968689) is 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is CCCCc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12.
What is the InChIKey of 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is XEKYWPTXQGRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-4-5-14-6-11-18-19(12-14)24-20-21-17(13-22(18)20)15-7-9-16(23-2)10-8-15/h6-13H,3-5H2,1-2H3.
What are the key properties of 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 336.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 3968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).