2-piperidin-2-yl-1,3-benzothiazole

C12H14N2S — CID 3327259

IUPAC2-piperidin-2-yl-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCCN3)nc2c1
InChIInChI=1S/C12H14N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKeyQXJHTXUNRZNJKT-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.11
Rot. Bonds1

About 2-piperidin-2-yl-1,3-benzothiazole

2-piperidin-2-yl-1,3-benzothiazole (PubChem CID 3327259) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-piperidin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-piperidin-2-yl-1,3-benzothiazole
PubChem CID3327259
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-piperidin-2-yl-1,3-benzothiazole
SMILESc1ccc2sc(C3CCCCN3)nc2c1
InChIInChI=1S/C12H14N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKeyQXJHTXUNRZNJKT-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-2-yl-1,3-benzothiazole 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-2-yl-1,3-benzothiazole?
The IUPAC name of 2-piperidin-2-yl-1,3-benzothiazole (CID 3327259) is 2-piperidin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-piperidin-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-piperidin-2-yl-1,3-benzothiazole is c1ccc2sc(C3CCCCN3)nc2c1.
What is the InChIKey of 2-piperidin-2-yl-1,3-benzothiazole?
The InChIKey is QXJHTXUNRZNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2.
What are the key properties of 2-piperidin-2-yl-1,3-benzothiazole?
2-piperidin-2-yl-1,3-benzothiazole has a molecular weight of 218.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 3327259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).