N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine

C15H21N3S — CID 103936360

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)C1CCN(C)CC1
InChIInChI=1S/C15H21N3S/c1-11(12-5-7-18(2)8-6-12)17-13-3-4-14-15(9-13)19-10-16-14/h3-4,9-12,17H,5-8H2,1-2H3
InChIKeyOFFDQOZXSIBAGQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.44
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine

N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 103936360) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID103936360
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)C1CCN(C)CC1
InChIInChI=1S/C15H21N3S/c1-11(12-5-7-18(2)8-6-12)17-13-3-4-14-15(9-13)19-10-16-14/h3-4,9-12,17H,5-8H2,1-2H3
InChIKeyOFFDQOZXSIBAGQ-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-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 N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine (CID 103936360) is N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine is CC(Nc1ccc2ncsc2c1)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is OFFDQOZXSIBAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(12-5-7-18(2)8-6-12)17-13-3-4-14-15(9-13)19-10-16-14/h3-4,9-12,17H,5-8H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine?
N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 275.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103936360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).