2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde

C13H14N2OS — CID 169226523

IUPAC2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
SMILESO=Cc1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C13H14N2OS/c16-8-9-1-2-11-12(7-9)17-13(15-11)10-3-5-14-6-4-10/h1-2,7-8,10,14H,3-6H2
InChIKeyGCQARMACKQHDHY-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.58
Rot. Bonds2

About 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde

2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde (PubChem CID 169226523) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
PubChem CID169226523
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
SMILESO=Cc1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C13H14N2OS/c16-8-9-1-2-11-12(7-9)17-13(15-11)10-3-5-14-6-4-10/h1-2,7-8,10,14H,3-6H2
InChIKeyGCQARMACKQHDHY-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-piperidin-4-yl-1,3-benzothiazole-6-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 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde?
The IUPAC name of 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde (CID 169226523) is 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde.
What is the SMILES notation for 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde?
The canonical SMILES for 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde is O=Cc1ccc2nc(C3CCNCC3)sc2c1.
What is the InChIKey of 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde?
The InChIKey is GCQARMACKQHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-8-9-1-2-11-12(7-9)17-13(15-11)10-3-5-14-6-4-10/h1-2,7-8,10,14H,3-6H2.
What are the key properties of 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde?
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde is sourced from PubChem (CID 169226523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).