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

C13H11N3O2S — CID 39198119

IUPAC6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2nc3scnn3c2C=O)cc1
InChIInChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12-11(7-17)16-13(15-12)19-8-14-16/h3-8H,2H2,1H3
InChIKeyMIQNPKAQJANKSG-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.67
Rot. Bonds4

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

6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198119) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198119
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2nc3scnn3c2C=O)cc1
InChIInChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12-11(7-17)16-13(15-12)19-8-14-16/h3-8H,2H2,1H3
InChIKeyMIQNPKAQJANKSG-UHFFFAOYSA-N
XLogP2.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198130
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
2-methyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197835
6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198113
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 7539845
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-[4-(2-methylprop-2-enoxy)phenyl]-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197912
2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 92914402
2-cyclopropyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197982
5-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646715

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198119) is 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is CCOc1ccc(-c2nc3scnn3c2C=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is MIQNPKAQJANKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12-11(7-17)16-13(15-12)19-8-14-16/h3-8H,2H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 273.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).