2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde

C9H6N2OS — CID 2125337

IUPAC2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C9H6N2OS/c12-5-7-6-13-9(11-7)8-3-1-2-4-10-8/h1-6H
InChIKeyNPVUCLKAKKBRFA-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.02
Rot. Bonds2

About 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde

2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde (PubChem CID 2125337) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde
PubChem CID2125337
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C9H6N2OS/c12-5-7-6-13-9(11-7)8-3-1-2-4-10-8/h1-6H
InChIKeyNPVUCLKAKKBRFA-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.02
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 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde (CID 2125337) is 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde is O=Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde?
The InChIKey is NPVUCLKAKKBRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-5-7-6-13-9(11-7)8-3-1-2-4-10-8/h1-6H.
What are the key properties of 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde?
2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde has a molecular weight of 190.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 2125337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).