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

C19H21N3O2S — CID 39198012

IUPAC2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1nc2sc(C3CCCCC3)nn2c1C=O
InChIInChI=1S/C19H21N3O2S/c1-2-24-16-11-7-6-10-14(16)17-15(12-23)22-19(20-17)25-18(21-22)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyFLDYNSJUIGXKEL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.72
Rot. Bonds5

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

2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198012) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198012
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1nc2sc(C3CCCCC3)nn2c1C=O
InChIInChI=1S/C19H21N3O2S/c1-2-24-16-11-7-6-10-14(16)17-15(12-23)22-19(20-17)25-18(21-22)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyFLDYNSJUIGXKEL-UHFFFAOYSA-N
XLogP4.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-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

Related Compounds

2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198223
2-cyclohexyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197993
2-cyclopropyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197982
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
ethyl 2-cyclohexyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54410384
6-cyclohexyl-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850485
3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71304854
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
2-(2-ethoxyphenyl)-3-formyl-5-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060873
2-cyclohexyl-7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803592
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198012) is 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is CCOc1ccccc1-c1nc2sc(C3CCCCC3)nn2c1C=O.
What is the InChIKey of 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is FLDYNSJUIGXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-24-16-11-7-6-10-14(16)17-15(12-23)22-19(20-17)25-18(21-22)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3.
What are the key properties of 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 355.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).