4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine

C13H17N3S — CID 83018744

IUPAC4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NN3CCCCC3)nc12
InChIInChI=1S/C13H17N3S/c1-10-6-5-7-11-12(10)14-13(17-11)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,14,15)
InChIKeyNWISGTOFZXJXJN-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.42
Rot. Bonds2

About 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine

4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine (PubChem CID 83018744) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine
PubChem CID83018744
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NN3CCCCC3)nc12
InChIInChI=1S/C13H17N3S/c1-10-6-5-7-11-12(10)14-13(17-11)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,14,15)
InChIKeyNWISGTOFZXJXJN-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-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 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine (CID 83018744) is 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine is Cc1cccc2sc(NN3CCCCC3)nc12.
What is the InChIKey of 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The InChIKey is NWISGTOFZXJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-6-5-7-11-12(10)14-13(17-11)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 83018744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).