2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole

C20H31N3S — CID 131999246

IUPAC2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1c(C2CCCCCCC2)nc2sc(C3CCCCCCC3)nn12
InChIInChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(21-18)24-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2
InChIKeyFOCXDFZBEZPJOI-UHFFFAOYSA-N
MW345.56 g/mol
LogP6.45
Rot. Bonds2

About 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole

2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 131999246) has the molecular formula C20H31N3S and a molecular weight of 345.56 g/mol. Its IUPAC name is 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID131999246
Molecular FormulaC20H31N3S
Molecular Weight345.56 g/mol
Exact Mass345.22
IUPAC Name2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1c(C2CCCCCCC2)nc2sc(C3CCCCCCC3)nn12
InChIInChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(21-18)24-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2
InChIKeyFOCXDFZBEZPJOI-UHFFFAOYSA-N
XLogP6.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.56
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 131999246) is 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole is c1c(C2CCCCCCC2)nc2sc(C3CCCCCCC3)nn12.
What is the InChIKey of 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FOCXDFZBEZPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(21-18)24-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2.
What are the key properties of 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole?
2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 345.56 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclooctyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 131999246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).