N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine

C15H14N2S — CID 28665458

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-16-11-15-17-13-8-4-5-9-14(13)18-15/h1-9,16H,10-11H2
InChIKeyXUFUJPJGSXYRBI-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.59
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine (PubChem CID 28665458) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine
PubChem CID28665458
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-16-11-15-17-13-8-4-5-9-14(13)18-15/h1-9,16H,10-11H2
InChIKeyXUFUJPJGSXYRBI-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine 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-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine (CID 28665458) is N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine is c1ccc(CNCc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is XUFUJPJGSXYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-16-11-15-17-13-8-4-5-9-14(13)18-15/h1-9,16H,10-11H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 254.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 28665458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).