2-ethynyl-[1,3]thiazolo[4,5-b]pyridine

C8H4N2S — CID 88532618

IUPAC2-ethynyl-[1,3]thiazolo[4,5-b]pyridine
SMILESC#Cc1nc2ncccc2s1
InChIInChI=1S/C8H4N2S/c1-2-7-10-8-6(11-7)4-3-5-9-8/h1,3-5H
InChIKeyAOFUIMURAZBPJP-UHFFFAOYSA-N
MW160.20 g/mol
LogP1.67
Rot. Bonds

About 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine

2-ethynyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 88532618) has the molecular formula C8H4N2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethynyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID88532618
Molecular FormulaC8H4N2S
Molecular Weight160.20 g/mol
Exact Mass160.01
IUPAC Name2-ethynyl-[1,3]thiazolo[4,5-b]pyridine
SMILESC#Cc1nc2ncccc2s1
InChIInChI=1S/C8H4N2S/c1-2-7-10-8-6(11-7)4-3-5-9-8/h1,3-5H
InChIKeyAOFUIMURAZBPJP-UHFFFAOYSA-N
XLogP1.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-[1,3]thiazolo[4,5-b]pyridine
CID 51358428
2-chloro-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 57482765
N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine
CID 58362612
1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine
CID 82409429
2-amino-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanol
CID 82400310
2-cyclohexyl-[1,3]thiazolo[4,5-b]pyridine
CID 139087737
2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one
CID 168761755
N-methyl-6-([1,3]thiazolo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 70853674
N-methyl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 70853672
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
CID 22385774
2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 70274211

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine (CID 88532618) is 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine is C#Cc1nc2ncccc2s1.
What is the InChIKey of 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is AOFUIMURAZBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S/c1-2-7-10-8-6(11-7)4-3-5-9-8/h1,3-5H.
What are the key properties of 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine?
2-ethynyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 160.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 88532618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).