4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine

C12H4BrClF2N2S — CID 86669007

IUPAC4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(Cl)c1-c1nc2c(F)cnc(Br)c2s1
InChIInChI=1S/C12H4BrClF2N2S/c13-11-10-9(7(16)4-17-11)18-12(19-10)8-5(14)2-1-3-6(8)15/h1-4H
InChIKeyKGTZNBVAKDOWSB-UHFFFAOYSA-N
MW361.60 g/mol
LogP5.05
Rot. Bonds1

About 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine

4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 86669007) has the molecular formula C12H4BrClF2N2S and a molecular weight of 361.60 g/mol. Its IUPAC name is 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID86669007
Molecular FormulaC12H4BrClF2N2S
Molecular Weight361.60 g/mol
Exact Mass359.89
IUPAC Name4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(Cl)c1-c1nc2c(F)cnc(Br)c2s1
InChIInChI=1S/C12H4BrClF2N2S/c13-11-10-9(7(16)4-17-11)18-12(19-10)8-5(14)2-1-3-6(8)15/h1-4H
InChIKeyKGTZNBVAKDOWSB-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[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-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine (CID 86669007) is 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine is Fc1cccc(Cl)c1-c1nc2c(F)cnc(Br)c2s1.
What is the InChIKey of 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is KGTZNBVAKDOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrClF2N2S/c13-11-10-9(7(16)4-17-11)18-12(19-10)8-5(14)2-1-3-6(8)15/h1-4H.
What are the key properties of 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine?
4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 361.60 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 86669007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).