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

C14H6F2N2S — CID 50913896

IUPAC6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1ccc(C#Cc2cnc3ncsc3c2)c(F)c1
InChIInChI=1S/C14H6F2N2S/c15-11-4-3-10(12(16)6-11)2-1-9-5-13-14(17-7-9)18-8-19-13/h3-8H
InChIKeyNCXJSEZPQPHLJG-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.37
Rot. Bonds

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

6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 50913896) has the molecular formula C14H6F2N2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID50913896
Molecular FormulaC14H6F2N2S
Molecular Weight272.28 g/mol
Exact Mass272.02
IUPAC Name6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1ccc(C#Cc2cnc3ncsc3c2)c(F)c1
InChIInChI=1S/C14H6F2N2S/c15-11-4-3-10(12(16)6-11)2-1-9-5-13-14(17-7-9)18-8-19-13/h3-8H
InChIKeyNCXJSEZPQPHLJG-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[2-(2,4-difluorophenyl)ethynyl]-[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

Related Compounds

6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
CID 67959339
1-bromo-3-[2-(2,4-difluorophenyl)ethynyl]-2,4-difluorobenzene
CID 71089903
4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997891
4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786366
1-[2-(4-decylphenyl)ethynyl]-2,4-difluorobenzene
CID 139909517
5-butyl-2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858362
4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile
CID 107805491
5-but-3-enyl-2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139856840
2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
CID 168984861
2-fluoro-6-[2-[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857229
1-(2,6-difluorophenyl)-7-[2-(2,4-difluorophenyl)ethynyl]quinolizin-2-one
CID 16749634
2-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]-2-fluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858954

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine (CID 50913896) is 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine is Fc1ccc(C#Cc2cnc3ncsc3c2)c(F)c1.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is NCXJSEZPQPHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2N2S/c15-11-4-3-10(12(16)6-11)2-1-9-5-13-14(17-7-9)18-8-19-13/h3-8H.
What are the key properties of 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 272.28 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 50913896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).