[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde

C7H4N2OS — CID 76850412

IUPAC[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde
SMILESO=Cc1cnc2ncsc2c1
InChIInChI=1S/C7H4N2OS/c10-3-5-1-6-7(8-2-5)9-4-11-6/h1-4H
InChIKeyKJJKFIUCVSLVNX-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.50
Rot. Bonds1

About [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde

[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde (PubChem CID 76850412) has the molecular formula C7H4N2OS and a molecular weight of 164.19 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde
PubChem CID76850412
Molecular FormulaC7H4N2OS
Molecular Weight164.19 g/mol
Exact Mass164.00
IUPAC Name[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde
SMILESO=Cc1cnc2ncsc2c1
InChIInChI=1S/C7H4N2OS/c10-3-5-1-6-7(8-2-5)9-4-11-6/h1-4H
InChIKeyKJJKFIUCVSLVNX-UHFFFAOYSA-N
XLogP1.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde?
The IUPAC name of [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde (CID 76850412) is [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde.
What is the SMILES notation for [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde?
The canonical SMILES for [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde is O=Cc1cnc2ncsc2c1.
What is the InChIKey of [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde?
The InChIKey is KJJKFIUCVSLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS/c10-3-5-1-6-7(8-2-5)9-4-11-6/h1-4H.
What are the key properties of [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde?
[1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde has a molecular weight of 164.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 76850412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).