2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C20H31N3S — CID 166922648

IUPAC2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESc1c(C2CCCCCCC2)sc2nc(C3CCCCCCC3)nn12
InChIInChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(24-18)21-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2
InChIKeyONGVUONQLKNBGG-UHFFFAOYSA-N
MW345.56 g/mol
LogP6.45
Rot. Bonds2

About 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 166922648) has the molecular formula C20H31N3S and a molecular weight of 345.56 g/mol. Its IUPAC name is 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID166922648
Molecular FormulaC20H31N3S
Molecular Weight345.56 g/mol
Exact Mass345.22
IUPAC Name2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESc1c(C2CCCCCCC2)sc2nc(C3CCCCCCC3)nn12
InChIInChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(24-18)21-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2
InChIKeyONGVUONQLKNBGG-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 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole 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 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 166922648) is 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is c1c(C2CCCCCCC2)sc2nc(C3CCCCCCC3)nn12.
What is the InChIKey of 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is ONGVUONQLKNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3S/c1-3-7-11-16(12-8-4-1)18-15-23-20(24-18)21-19(22-23)17-13-9-5-2-6-10-14-17/h15-17H,1-14H2.
What are the key properties of 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole 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 2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 166922648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).