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

C9H10N2S — CID 20641362

IUPAC2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC(C)c1nc2ncccc2s1
InChIInChI=1S/C9H10N2S/c1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-6H,1-2H3
InChIKeyZQODEQHWFJXWSF-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.81
Rot. Bonds1

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

2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 20641362) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID20641362
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC(C)c1nc2ncccc2s1
InChIInChI=1S/C9H10N2S/c1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-6H,1-2H3
InChIKeyZQODEQHWFJXWSF-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine (CID 20641362) is 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine is CC(C)c1nc2ncccc2s1.
What is the InChIKey of 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ZQODEQHWFJXWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine?
2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 178.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 20641362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).