6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole

C14H13FN4S — CID 1497147

IUPAC6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1
InChIInChI=1S/C14H13FN4S/c15-11-5-3-10(4-6-11)12-9-19-13(16-12)20-14(17-19)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2
InChIKeyWSSNJICRKQCTDE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.20
Rot. Bonds2

About 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 1497147) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID1497147
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1
InChIInChI=1S/C14H13FN4S/c15-11-5-3-10(4-6-11)12-9-19-13(16-12)20-14(17-19)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2
InChIKeyWSSNJICRKQCTDE-UHFFFAOYSA-N
XLogP3.20
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[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 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 1497147) is 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WSSNJICRKQCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c15-11-5-3-10(4-6-11)12-9-19-13(16-12)20-14(17-19)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2.
What are the key properties of 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-pyrrolidin-1-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 1497147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).