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

C22H19FN2OS — CID 39198617

IUPAC6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2nc3scc(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C22H19FN2OS/c1-22(2,3)16-8-4-15(5-9-16)20-18(12-26)25-19(13-27-21(25)24-20)14-6-10-17(23)11-7-14/h4-13H,1-3H3
InChIKeyASFDMGPKFGZONG-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.98
Rot. Bonds3

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

6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198617) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198617
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC Name6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2nc3scc(-c4ccc(F)cc4)n3c2C=O)cc1
InChIInChI=1S/C22H19FN2OS/c1-22(2,3)16-8-4-15(5-9-16)20-18(12-26)25-19(13-27-21(25)24-20)14-6-10-17(23)11-7-14/h4-13H,1-3H3
InChIKeyASFDMGPKFGZONG-UHFFFAOYSA-N
XLogP5.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.98
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-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198617) is 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(C)(C)c1ccc(-c2nc3scc(-c4ccc(F)cc4)n3c2C=O)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ASFDMGPKFGZONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c1-22(2,3)16-8-4-15(5-9-16)20-18(12-26)25-19(13-27-21(25)24-20)14-6-10-17(23)11-7-14/h4-13H,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 378.47 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).