copper;1,2-thiazol-3-one

C3H3CuNOS — CID 70231643

IUPACcopper;1,2-thiazol-3-one
SMILESO=c1ccs[nH]1.[Cu]
InChIInChI=1S/C3H3NOS.Cu/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);
InChIKeyAYAZQCGJMKFBGG-UHFFFAOYSA-N
MW164.68 g/mol
LogP0.43
Rot. Bonds

About copper;1,2-thiazol-3-one

copper;1,2-thiazol-3-one (PubChem CID 70231643) has the molecular formula C3H3CuNOS and a molecular weight of 164.68 g/mol. Its IUPAC name is copper;1,2-thiazol-3-one.

Molecular Properties

Compound Namecopper;1,2-thiazol-3-one
PubChem CID70231643
Molecular FormulaC3H3CuNOS
Molecular Weight164.68 g/mol
Exact Mass163.92
IUPAC Namecopper;1,2-thiazol-3-one
SMILESO=c1ccs[nH]1.[Cu]
InChIInChI=1S/C3H3NOS.Cu/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);
InChIKeyAYAZQCGJMKFBGG-UHFFFAOYSA-N
XLogP0.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze copper;1,2-thiazol-3-one 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 copper;1,2-thiazol-3-one?
The IUPAC name of copper;1,2-thiazol-3-one (CID 70231643) is copper;1,2-thiazol-3-one.
What is the SMILES notation for copper;1,2-thiazol-3-one?
The canonical SMILES for copper;1,2-thiazol-3-one is O=c1ccs[nH]1.[Cu].
What is the InChIKey of copper;1,2-thiazol-3-one?
The InChIKey is AYAZQCGJMKFBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NOS.Cu/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);.
What are the key properties of copper;1,2-thiazol-3-one?
copper;1,2-thiazol-3-one has a molecular weight of 164.68 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,2-thiazol-3-one is sourced from PubChem (CID 70231643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).