4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine

C12H5Cl3N2S — CID 87158194

IUPAC4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1ccc(-c2nc3ccnc(Cl)c3s2)c(Cl)c1
InChIInChI=1S/C12H5Cl3N2S/c13-6-1-2-7(8(14)5-6)12-17-9-3-4-16-11(15)10(9)18-12/h1-5H
InChIKeyXIHUYDOBOBHMEE-UHFFFAOYSA-N
MW315.61 g/mol
LogP5.32
Rot. Bonds1

About 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine

4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 87158194) has the molecular formula C12H5Cl3N2S and a molecular weight of 315.61 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID87158194
Molecular FormulaC12H5Cl3N2S
Molecular Weight315.61 g/mol
Exact Mass313.92
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1ccc(-c2nc3ccnc(Cl)c3s2)c(Cl)c1
InChIInChI=1S/C12H5Cl3N2S/c13-6-1-2-7(8(14)5-6)12-17-9-3-4-16-11(15)10(9)18-12/h1-5H
InChIKeyXIHUYDOBOBHMEE-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.61
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]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 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine (CID 87158194) is 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine is Clc1ccc(-c2nc3ccnc(Cl)c3s2)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is XIHUYDOBOBHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2S/c13-6-1-2-7(8(14)5-6)12-17-9-3-4-16-11(15)10(9)18-12/h1-5H.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 315.61 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 87158194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).