3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile

C13H4Cl2FN3S — CID 86723314

IUPAC3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1
InChIInChI=1S/C13H4Cl2FN3S/c14-7-3-6(5-17)4-8(16)10(7)13-19-9-1-2-18-12(15)11(9)20-13/h1-4H
InChIKeyPKIIUGYQBOBPAD-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.68
Rot. Bonds1

About 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile

3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile (PubChem CID 86723314) has the molecular formula C13H4Cl2FN3S and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile
PubChem CID86723314
Molecular FormulaC13H4Cl2FN3S
Molecular Weight324.17 g/mol
Exact Mass322.95
IUPAC Name3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1
InChIInChI=1S/C13H4Cl2FN3S/c14-7-3-6(5-17)4-8(16)10(7)13-19-9-1-2-18-12(15)11(9)20-13/h1-4H
InChIKeyPKIIUGYQBOBPAD-UHFFFAOYSA-N
XLogP4.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile 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-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile (CID 86723314) is 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile is N#Cc1cc(F)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile?
The InChIKey is PKIIUGYQBOBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl2FN3S/c14-7-3-6(5-17)4-8(16)10(7)13-19-9-1-2-18-12(15)11(9)20-13/h1-4H.
What are the key properties of 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile?
3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile has a molecular weight of 324.17 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 86723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).