2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole

C16H11N3S — CID 867602

IUPAC2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C16H11N3S/c1-3-7-12(8-4-1)14-11-19-16(17-14)20-15(18-19)13-9-5-2-6-10-13/h1-11H
InChIKeyOAAKEJCQYKVQEU-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.12
Rot. Bonds2

About 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole

2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 867602) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID867602
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C16H11N3S/c1-3-7-12(8-4-1)14-11-19-16(17-14)20-15(18-19)13-9-5-2-6-10-13/h1-11H
InChIKeyOAAKEJCQYKVQEU-UHFFFAOYSA-N
XLogP4.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-diphenylimidazo[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-diphenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole (CID 867602) is 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1.
What is the InChIKey of 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is OAAKEJCQYKVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-3-7-12(8-4-1)14-11-19-16(17-14)20-15(18-19)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 277.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).