5-chloro-[1,3]thiazolo[4,5-b]pyridine

C6H3ClN2S — CID 83827223

IUPAC5-chloro-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1ccc2scnc2n1
InChIInChI=1S/C6H3ClN2S/c7-5-2-1-4-6(9-5)8-3-10-4/h1-3H
InChIKeyPSJRMADNSHSKKX-UHFFFAOYSA-N
MW170.62 g/mol
LogP2.34
Rot. Bonds

About 5-chloro-[1,3]thiazolo[4,5-b]pyridine

5-chloro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 83827223) has the molecular formula C6H3ClN2S and a molecular weight of 170.62 g/mol. Its IUPAC name is 5-chloro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID83827223
Molecular FormulaC6H3ClN2S
Molecular Weight170.62 g/mol
Exact Mass169.97
IUPAC Name5-chloro-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1ccc2scnc2n1
InChIInChI=1S/C6H3ClN2S/c7-5-2-1-4-6(9-5)8-3-10-4/h1-3H
InChIKeyPSJRMADNSHSKKX-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-[1,3]thiazolo[4,5-b]pyridine 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 5-chloro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-[1,3]thiazolo[4,5-b]pyridine (CID 83827223) is 5-chloro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-[1,3]thiazolo[4,5-b]pyridine is Clc1ccc2scnc2n1.
What is the InChIKey of 5-chloro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is PSJRMADNSHSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S/c7-5-2-1-4-6(9-5)8-3-10-4/h1-3H.
What are the key properties of 5-chloro-[1,3]thiazolo[4,5-b]pyridine?
5-chloro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 170.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 83827223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).