3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde

C9H6N2OS — CID 96625117

IUPAC3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1nccs1
InChIInChI=1S/C9H6N2OS/c12-6-7-1-2-10-5-8(7)9-11-3-4-13-9/h1-6H
InChIKeyXPMQLOCEWOTVAP-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.02
Rot. Bonds2

About 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde

3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde (PubChem CID 96625117) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde
PubChem CID96625117
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1nccs1
InChIInChI=1S/C9H6N2OS/c12-6-7-1-2-10-5-8(7)9-11-3-4-13-9/h1-6H
InChIKeyXPMQLOCEWOTVAP-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 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde (CID 96625117) is 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde is O=Cc1ccncc1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde?
The InChIKey is XPMQLOCEWOTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-6-7-1-2-10-5-8(7)9-11-3-4-13-9/h1-6H.
What are the key properties of 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde?
3-(1,3-thiazol-2-yl)pyridine-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 3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 96625117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).