2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde

C10H14N2OS — CID 87995708

IUPAC2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(N2CCCCC2)s1
InChIInChI=1S/C10H14N2OS/c13-7-4-9-11-8-10(14-9)12-5-2-1-3-6-12/h7-8H,1-6H2
InChIKeyLFLGCMLCIKJKQA-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds3

About 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde

2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde (PubChem CID 87995708) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde
PubChem CID87995708
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(N2CCCCC2)s1
InChIInChI=1S/C10H14N2OS/c13-7-4-9-11-8-10(14-9)12-5-2-1-3-6-12/h7-8H,1-6H2
InChIKeyLFLGCMLCIKJKQA-UHFFFAOYSA-N
XLogP1.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde 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 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde (CID 87995708) is 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde is O=CCc1ncc(N2CCCCC2)s1.
What is the InChIKey of 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is LFLGCMLCIKJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-7-4-9-11-8-10(14-9)12-5-2-1-3-6-12/h7-8H,1-6H2.
What are the key properties of 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde?
2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-yl-1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 87995708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).