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

C20H23N3O2S — CID 39198223

IUPAC2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2sc(CCC3CCCCC3)nn2c1C=O
InChIInChI=1S/C20H23N3O2S/c1-25-17-10-6-5-9-15(17)19-16(13-24)23-20(21-19)26-18(22-23)12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3
InChIKeyQCHJPTGVNSUTBE-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.79
Rot. Bonds6

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

2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198223) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198223
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2sc(CCC3CCCCC3)nn2c1C=O
InChIInChI=1S/C20H23N3O2S/c1-25-17-10-6-5-9-15(17)19-16(13-24)23-20(21-19)26-18(22-23)12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3
InChIKeyQCHJPTGVNSUTBE-UHFFFAOYSA-N
XLogP4.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198223) is 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is COc1ccccc1-c1nc2sc(CCC3CCCCC3)nn2c1C=O.
What is the InChIKey of 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is QCHJPTGVNSUTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-17-10-6-5-9-15(17)19-16(13-24)23-20(21-19)26-18(22-23)12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 369.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).