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

C9H6N2OS — CID 83383281

IUPAC5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccncc2)s1
InChIInChI=1S/C9H6N2OS/c12-6-9-11-5-8(13-9)7-1-3-10-4-2-7/h1-6H
InChIKeyPYFLIYHSMCEADG-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.02
Rot. Bonds2

About 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde

5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde (PubChem CID 83383281) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
PubChem CID83383281
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccncc2)s1
InChIInChI=1S/C9H6N2OS/c12-6-9-11-5-8(13-9)7-1-3-10-4-2-7/h1-6H
InChIKeyPYFLIYHSMCEADG-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'}

Analyze 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde (CID 83383281) is 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde?
The InChIKey is PYFLIYHSMCEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-6-9-11-5-8(13-9)7-1-3-10-4-2-7/h1-6H.
What are the key properties of 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde?
5-pyridin-4-yl-1,3-thiazole-2-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 5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 83383281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).