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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).