5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole

C15H20N2S — CID 55049751

IUPAC5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
SMILESCc1ccc2sc(CCC3CCCCN3)nc2c1
InChIInChI=1S/C15H20N2S/c1-11-5-7-14-13(10-11)17-15(18-14)8-6-12-4-2-3-9-16-12/h5,7,10,12,16H,2-4,6,8-9H2,1H3
InChIKeyRPQNTKFRBGBHBZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.68
Rot. Bonds3

About 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole

5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole (PubChem CID 55049751) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
PubChem CID55049751
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
SMILESCc1ccc2sc(CCC3CCCCN3)nc2c1
InChIInChI=1S/C15H20N2S/c1-11-5-7-14-13(10-11)17-15(18-14)8-6-12-4-2-3-9-16-12/h5,7,10,12,16H,2-4,6,8-9H2,1H3
InChIKeyRPQNTKFRBGBHBZ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(2-piperidin-2-ylethyl)-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

Related Compounds

6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1,3-benzothiazole
CID 79608654
(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
CID 126806025
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
CID 55126511
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
5-bromo-2-(2-piperidin-4-ylethyl)-1,3-benzothiazole
CID 62216200
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The IUPAC name of 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole (CID 55049751) is 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole is Cc1ccc2sc(CCC3CCCCN3)nc2c1.
What is the InChIKey of 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
The InChIKey is RPQNTKFRBGBHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-7-14-13(10-11)17-15(18-14)8-6-12-4-2-3-9-16-12/h5,7,10,12,16H,2-4,6,8-9H2,1H3.
What are the key properties of 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole?
5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 55049751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).