2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C22H19FN2OS — CID 39198453

IUPAC2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(CC)c(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C22H19FN2OS/c1-3-14-5-7-15(8-6-14)20-18(13-26)25-21(16-9-11-17(23)12-10-16)19(4-2)27-22(25)24-20/h5-13H,3-4H2,1-2H3
InChIKeyTUFSSJADAXHRCX-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.81
Rot. Bonds5

About 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198453) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198453
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC Name2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(CC)c(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C22H19FN2OS/c1-3-14-5-7-15(8-6-14)20-18(13-26)25-21(16-9-11-17(23)12-10-16)19(4-2)27-22(25)24-20/h5-13H,3-4H2,1-2H3
InChIKeyTUFSSJADAXHRCX-UHFFFAOYSA-N
XLogP5.81
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde 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 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198453) is 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1ccc(-c2nc3sc(CC)c(-c4ccc(F)cc4)n3c2C=O)cc1.
What is the InChIKey of 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is TUFSSJADAXHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c1-3-14-5-7-15(8-6-14)20-18(13-26)25-21(16-9-11-17(23)12-10-16)19(4-2)27-22(25)24-20/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 378.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).