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

C20H15FN2O2S — CID 39198541

IUPAC3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1csc2nc(-c3ccc(F)cc3)c(C=O)n12
InChIInChI=1S/C20H15FN2O2S/c1-2-25-18-6-4-3-5-15(18)17-12-26-20-22-19(16(11-24)23(17)20)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3
InChIKeyLZXAOHMSPMFGDA-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.08
Rot. Bonds5

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

3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198541) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198541
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1csc2nc(-c3ccc(F)cc3)c(C=O)n12
InChIInChI=1S/C20H15FN2O2S/c1-2-25-18-6-4-3-5-15(18)17-12-26-20-22-19(16(11-24)23(17)20)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3
InChIKeyLZXAOHMSPMFGDA-UHFFFAOYSA-N
XLogP5.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198541) is 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1ccccc1-c1csc2nc(-c3ccc(F)cc3)c(C=O)n12.
What is the InChIKey of 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is LZXAOHMSPMFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-2-25-18-6-4-3-5-15(18)17-12-26-20-22-19(16(11-24)23(17)20)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 366.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).