(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine

C13H9N3S2 — CID 134997467

IUPAC(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine
SMILESC(=N/Sc1nc2ccccc2s1)\c1ccccn1
InChIInChI=1S/C13H9N3S2/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H/b15-9+
InChIKeyBHQBPGHLKZLLTN-OQLLNIDSSA-N
MW271.37 g/mol
LogP3.82
Rot. Bonds3

About (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine

(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine (PubChem CID 134997467) has the molecular formula C13H9N3S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine
PubChem CID134997467
Molecular FormulaC13H9N3S2
Molecular Weight271.37 g/mol
Exact Mass271.02
IUPAC Name(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine
SMILESC(=N/Sc1nc2ccccc2s1)\c1ccccn1
InChIInChI=1S/C13H9N3S2/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H/b15-9+
InChIKeyBHQBPGHLKZLLTN-OQLLNIDSSA-N
XLogP3.82
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine 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 (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine (CID 134997467) is (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine is C(=N/Sc1nc2ccccc2s1)\c1ccccn1.
What is the InChIKey of (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine?
The InChIKey is BHQBPGHLKZLLTN-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9N3S2/c1-2-7-12-11(6-1)16-13(17-12)18-15-9-10-5-3-4-8-14-10/h1-9H/b15-9+.
What are the key properties of (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine?
(E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine has a molecular weight of 271.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzothiazol-2-ylsulfanyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 134997467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).