1,3-benzothiazole;zinc

C7H5NSZn — CID 66588590

IUPAC1,3-benzothiazole;zinc
SMILES[Zn].c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.Zn/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeySHXCHSNZIGEBFL-UHFFFAOYSA-N
MW200.58 g/mol
LogP2.29
Rot. Bonds

About 1,3-benzothiazole;zinc

1,3-benzothiazole;zinc (PubChem CID 66588590) has the molecular formula C7H5NSZn and a molecular weight of 200.58 g/mol. Its IUPAC name is 1,3-benzothiazole;zinc.

Molecular Properties

Compound Name1,3-benzothiazole;zinc
PubChem CID66588590
Molecular FormulaC7H5NSZn
Molecular Weight200.58 g/mol
Exact Mass198.94
IUPAC Name1,3-benzothiazole;zinc
SMILES[Zn].c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.Zn/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeySHXCHSNZIGEBFL-UHFFFAOYSA-N
XLogP2.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-benzothiazole;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
azane;1,3-benzothiazole
CID 68815700
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;thiohydroxylamine
CID 174771488
1,3-benzothiazole;quinoxaline
CID 139508476
benzene;1,3-benzothiazole;cyclohexane
CID 158485406
1,3-benzothiazole;ethane-1,2-diol
CID 158729735
1,3-benzothiazole;formamide
CID 160548939
1,3-benzothiazole;isothiocyanic acid
CID 175251975
CID 131664049
CID 131664049
1,3-benzothiazole;sulfuric acid
CID 174851582

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;zinc?
The IUPAC name of 1,3-benzothiazole;zinc (CID 66588590) is 1,3-benzothiazole;zinc.
What is the SMILES notation for 1,3-benzothiazole;zinc?
The canonical SMILES for 1,3-benzothiazole;zinc is [Zn].c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;zinc?
The InChIKey is SHXCHSNZIGEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.Zn/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;.
What are the key properties of 1,3-benzothiazole;zinc?
1,3-benzothiazole;zinc has a molecular weight of 200.58 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;zinc is sourced from PubChem (CID 66588590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).