7-piperidin-4-yl-1,3-benzothiazole

C12H14N2S — CID 82615244

IUPAC7-piperidin-4-yl-1,3-benzothiazole
SMILESc1cc(C2CCNCC2)c2scnc2c1
InChIInChI=1S/C12H14N2S/c1-2-10(9-4-6-13-7-5-9)12-11(3-1)14-8-15-12/h1-3,8-9,13H,4-7H2
InChIKeyXZAKWJISJBPSFH-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.76
Rot. Bonds1

About 7-piperidin-4-yl-1,3-benzothiazole

7-piperidin-4-yl-1,3-benzothiazole (PubChem CID 82615244) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 7-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name7-piperidin-4-yl-1,3-benzothiazole
PubChem CID82615244
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name7-piperidin-4-yl-1,3-benzothiazole
SMILESc1cc(C2CCNCC2)c2scnc2c1
InChIInChI=1S/C12H14N2S/c1-2-10(9-4-6-13-7-5-9)12-11(3-1)14-8-15-12/h1-3,8-9,13H,4-7H2
InChIKeyXZAKWJISJBPSFH-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-piperidin-4-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 7-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 7-piperidin-4-yl-1,3-benzothiazole (CID 82615244) is 7-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 7-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 7-piperidin-4-yl-1,3-benzothiazole is c1cc(C2CCNCC2)c2scnc2c1.
What is the InChIKey of 7-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is XZAKWJISJBPSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-10(9-4-6-13-7-5-9)12-11(3-1)14-8-15-12/h1-3,8-9,13H,4-7H2.
What are the key properties of 7-piperidin-4-yl-1,3-benzothiazole?
7-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 218.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 82615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).