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

C12H14N2S — CID 13324093

IUPAC3-piperidin-4-yl-1,2-benzothiazole
SMILESc1ccc2c(C3CCNCC3)nsc2c1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyRUGIEMXPGXHGET-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.76
Rot. Bonds1

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

3-piperidin-4-yl-1,2-benzothiazole (PubChem CID 13324093) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2-benzothiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2-benzothiazole
PubChem CID13324093
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name3-piperidin-4-yl-1,2-benzothiazole
SMILESc1ccc2c(C3CCNCC3)nsc2c1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyRUGIEMXPGXHGET-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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,2-benzothiazole?
The IUPAC name of 3-piperidin-4-yl-1,2-benzothiazole (CID 13324093) is 3-piperidin-4-yl-1,2-benzothiazole.
What is the SMILES notation for 3-piperidin-4-yl-1,2-benzothiazole?
The canonical SMILES for 3-piperidin-4-yl-1,2-benzothiazole is c1ccc2c(C3CCNCC3)nsc2c1.
What is the InChIKey of 3-piperidin-4-yl-1,2-benzothiazole?
The InChIKey is RUGIEMXPGXHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 3-piperidin-4-yl-1,2-benzothiazole?
3-piperidin-4-yl-1,2-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 3-piperidin-4-yl-1,2-benzothiazole is sourced from PubChem (CID 13324093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).