6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

C15H11BrF2N2S — CID 135372260

IUPAC6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nc(CCc3cc(F)cc(F)c3)c(Br)cc2s1
InChIInChI=1S/C15H11BrF2N2S/c1-8-19-15-14(21-8)7-12(16)13(20-15)3-2-9-4-10(17)6-11(18)5-9/h4-7H,2-3H2,1H3
InChIKeyFTPFPLWAOGAJEP-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.83
Rot. Bonds3

About 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine

6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 135372260) has the molecular formula C15H11BrF2N2S and a molecular weight of 369.23 g/mol. Its IUPAC name is 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID135372260
Molecular FormulaC15H11BrF2N2S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1nc2nc(CCc3cc(F)cc(F)c3)c(Br)cc2s1
InChIInChI=1S/C15H11BrF2N2S/c1-8-19-15-14(21-8)7-12(16)13(20-15)3-2-9-4-10(17)6-11(18)5-9/h4-7H,2-3H2,1H3
InChIKeyFTPFPLWAOGAJEP-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[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 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 135372260) is 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1nc2nc(CCc3cc(F)cc(F)c3)c(Br)cc2s1.
What is the InChIKey of 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FTPFPLWAOGAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2S/c1-8-19-15-14(21-8)7-12(16)13(20-15)3-2-9-4-10(17)6-11(18)5-9/h4-7H,2-3H2,1H3.
What are the key properties of 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 369.23 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 135372260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).