2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole

C23H26N2OS — CID 19209873

IUPAC2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
SMILESCCCCOc1ccc(-c2cn3c(n2)sc2cc(CCCC)ccc23)cc1
InChIInChI=1S/C23H26N2OS/c1-3-5-7-17-8-13-21-22(15-17)27-23-24-20(16-25(21)23)18-9-11-19(12-10-18)26-14-6-4-2/h8-13,15-16H,3-7,14H2,1-2H3
InChIKeyWTZPXRDXHLZBKS-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.74
Rot. Bonds8

About 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole

2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209873) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209873
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
SMILESCCCCOc1ccc(-c2cn3c(n2)sc2cc(CCCC)ccc23)cc1
InChIInChI=1S/C23H26N2OS/c1-3-5-7-17-8-13-21-22(15-17)27-23-24-20(16-25(21)23)18-9-11-19(12-10-18)26-14-6-4-2/h8-13,15-16H,3-7,14H2,1-2H3
InChIKeyWTZPXRDXHLZBKS-UHFFFAOYSA-N
XLogP6.74
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 66803372
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
2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111058
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 96668145

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole (CID 19209873) is 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole is CCCCOc1ccc(-c2cn3c(n2)sc2cc(CCCC)ccc23)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WTZPXRDXHLZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-3-5-7-17-8-13-21-22(15-17)27-23-24-20(16-25(21)23)18-9-11-19(12-10-18)26-14-6-4-2/h8-13,15-16H,3-7,14H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole?
2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 378.54 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).