3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole

C11H6ClN3S2 — CID 87642385

IUPAC3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole
SMILESClc1ccc(-c2nsc(-c3cccs3)n2)cn1
InChIInChI=1S/C11H6ClN3S2/c12-9-4-3-7(6-13-9)10-14-11(17-15-10)8-2-1-5-16-8/h1-6H
InChIKeyOKECIDGPZFBLQG-UHFFFAOYSA-N
MW279.78 g/mol
LogP3.98
Rot. Bonds2

About 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole

3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole (PubChem CID 87642385) has the molecular formula C11H6ClN3S2 and a molecular weight of 279.78 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole
PubChem CID87642385
Molecular FormulaC11H6ClN3S2
Molecular Weight279.78 g/mol
Exact Mass278.97
IUPAC Name3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole
SMILESClc1ccc(-c2nsc(-c3cccs3)n2)cn1
InChIInChI=1S/C11H6ClN3S2/c12-9-4-3-7(6-13-9)10-14-11(17-15-10)8-2-1-5-16-8/h1-6H
InChIKeyOKECIDGPZFBLQG-UHFFFAOYSA-N
XLogP3.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-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 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole (CID 87642385) is 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole is Clc1ccc(-c2nsc(-c3cccs3)n2)cn1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The InChIKey is OKECIDGPZFBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3S2/c12-9-4-3-7(6-13-9)10-14-11(17-15-10)8-2-1-5-16-8/h1-6H.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole has a molecular weight of 279.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 87642385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).