2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C14H15BrN2S — CID 79831170

IUPAC2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(-c3ccc(Br)cc3)sc2C1
InChIInChI=1S/C14H15BrN2S/c1-2-17-8-7-12-13(9-17)18-14(16-12)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyXOZCIQSNHUOLCR-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.95
Rot. Bonds2

About 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 79831170) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID79831170
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(-c3ccc(Br)cc3)sc2C1
InChIInChI=1S/C14H15BrN2S/c1-2-17-8-7-12-13(9-17)18-14(16-12)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyXOZCIQSNHUOLCR-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[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 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 79831170) is 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCN1CCc2nc(-c3ccc(Br)cc3)sc2C1.
What is the InChIKey of 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is XOZCIQSNHUOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-2-17-8-7-12-13(9-17)18-14(16-12)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 323.26 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 79831170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).