6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine

C13H17N3S — CID 82383689

IUPAC6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine
SMILESCN1CC(N)CCC1c1cccc2cnsc12
InChIInChI=1S/C13H17N3S/c1-16-8-10(14)5-6-12(16)11-4-2-3-9-7-15-17-13(9)11/h2-4,7,10,12H,5-6,8,14H2,1H3
InChIKeyRGMJOSAMXDQOEM-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.39
Rot. Bonds1

About 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine

6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine (PubChem CID 82383689) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine
PubChem CID82383689
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine
SMILESCN1CC(N)CCC1c1cccc2cnsc12
InChIInChI=1S/C13H17N3S/c1-16-8-10(14)5-6-12(16)11-4-2-3-9-7-15-17-13(9)11/h2-4,7,10,12H,5-6,8,14H2,1H3
InChIKeyRGMJOSAMXDQOEM-UHFFFAOYSA-N
XLogP2.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine 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 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine?
The IUPAC name of 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine (CID 82383689) is 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine is CN1CC(N)CCC1c1cccc2cnsc12.
What is the InChIKey of 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine?
The InChIKey is RGMJOSAMXDQOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-8-10(14)5-6-12(16)11-4-2-3-9-7-15-17-13(9)11/h2-4,7,10,12H,5-6,8,14H2,1H3.
What are the key properties of 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine?
6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine has a molecular weight of 247.37 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-benzothiazol-7-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 82383689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).