2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)

C14H9N3OPbS — CID 135546195

IUPAC2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)
SMILES[O-]c1ccccc1/C=N/[N-]c1nc2ccccc2s1.[Pb+2]
InChIInChI=1S/C14H10N3OS.Pb/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14;/h1-9H,(H-,15,16,17,18);/q-1;+2/p-1
InChIKeyHGGCNRJFPIYOLN-UHFFFAOYSA-M
MW474.51 g/mol
LogP3.03
Rot. Bonds3

About 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)

2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) (PubChem CID 135546195) has the molecular formula C14H9N3OPbS and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+).

Molecular Properties

Compound Name2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)
PubChem CID135546195
Molecular FormulaC14H9N3OPbS
Molecular Weight474.51 g/mol
Exact Mass475.02
IUPAC Name2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)
SMILES[O-]c1ccccc1/C=N/[N-]c1nc2ccccc2s1.[Pb+2]
InChIInChI=1S/C14H10N3OS.Pb/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14;/h1-9H,(H-,15,16,17,18);/q-1;+2/p-1
InChIKeyHGGCNRJFPIYOLN-UHFFFAOYSA-M
XLogP3.03
TPSA62.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) 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 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)?
The IUPAC name of 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) (CID 135546195) is 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+).
What is the SMILES notation for 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)?
The canonical SMILES for 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) is [O-]c1ccccc1/C=N/[N-]c1nc2ccccc2s1.[Pb+2].
What is the InChIKey of 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)?
The InChIKey is HGGCNRJFPIYOLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N3OS.Pb/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14;/h1-9H,(H-,15,16,17,18);/q-1;+2/p-1.
What are the key properties of 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)?
2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) has a molecular weight of 474.51 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+) is sourced from PubChem (CID 135546195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).