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

C21H17FN2OS — CID 39198452

IUPAC6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(C)c(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C21H17FN2OS/c1-3-14-4-6-15(7-5-14)19-18(12-25)24-20(13(2)26-21(24)23-19)16-8-10-17(22)11-9-16/h4-12H,3H2,1-2H3
InChIKeyVCFPUXVTJDRJLJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.55
Rot. Bonds4

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

6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198452) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198452
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(C)c(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C21H17FN2OS/c1-3-14-4-6-15(7-5-14)19-18(12-25)24-20(13(2)26-21(24)23-19)16-8-10-17(22)11-9-16/h4-12H,3H2,1-2H3
InChIKeyVCFPUXVTJDRJLJ-UHFFFAOYSA-N
XLogP5.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198452) is 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1ccc(-c2nc3sc(C)c(-c4ccc(F)cc4)n3c2C=O)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is VCFPUXVTJDRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-3-14-4-6-15(7-5-14)19-18(12-25)24-20(13(2)26-21(24)23-19)16-8-10-17(22)11-9-16/h4-12H,3H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 364.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).