3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

C11H7N3OS — CID 82062150

IUPAC3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESO=Cc1cn2c(-c3ccccn3)csc2n1
InChIInChI=1S/C11H7N3OS/c15-6-8-5-14-10(7-16-11(14)13-8)9-3-1-2-4-12-9/h1-7H
InChIKeyFULBJQCOXMSQIF-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.27
Rot. Bonds2

About 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (PubChem CID 82062150) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
PubChem CID82062150
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESO=Cc1cn2c(-c3ccccn3)csc2n1
InChIInChI=1S/C11H7N3OS/c15-6-8-5-14-10(7-16-11(14)13-8)9-3-1-2-4-12-9/h1-7H
InChIKeyFULBJQCOXMSQIF-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The IUPAC name of 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (CID 82062150) is 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is O=Cc1cn2c(-c3ccccn3)csc2n1.
What is the InChIKey of 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The InChIKey is FULBJQCOXMSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-6-8-5-14-10(7-16-11(14)13-8)9-3-1-2-4-12-9/h1-7H.
What are the key properties of 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde has a molecular weight of 229.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 82062150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).