6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole

C15H16N2OS — CID 19224481

IUPAC6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCOc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-3-9-18-13-6-4-12(5-7-13)14-11-17-8-10-19-15(17)16-14/h4-8,10-11H,2-3,9H2,1H3
InChIKeyGHRYSHDIVXRUKP-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.24
Rot. Bonds5

About 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole

6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 19224481) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID19224481
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCOc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-3-9-18-13-6-4-12(5-7-13)14-11-17-8-10-19-15(17)16-14/h4-8,10-11H,2-3,9H2,1H3
InChIKeyGHRYSHDIVXRUKP-UHFFFAOYSA-N
XLogP4.24
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.24
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

(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl) propane-1-sulfonate
CID 166176644
6-[4-(2-methoxyethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 115403295
2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111058
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
6-(4-azidophenyl)imidazo[2,1-b][1,3]thiazole
CID 150120131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 43936514
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
2-heptyl-6-(4-oct-7-enoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111385
2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
CID 19209873

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole (CID 19224481) is 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole is CCCCOc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is GHRYSHDIVXRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-3-9-18-13-6-4-12(5-7-13)14-11-17-8-10-19-15(17)16-14/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole?
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 272.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 19224481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).