1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one

C8H9N3O3S — CID 154156263

IUPAC1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one
SMILESO=C1CCCCN1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H9N3O3S/c12-6-3-1-2-4-10(6)8-9-5-7(15-8)11(13)14/h5H,1-4H2
InChIKeyXOUMJBKIUFGTQZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.57
Rot. Bonds2

About 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one

1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one (PubChem CID 154156263) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one
PubChem CID154156263
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC Name1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one
SMILESO=C1CCCCN1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H9N3O3S/c12-6-3-1-2-4-10(6)8-9-5-7(15-8)11(13)14/h5H,1-4H2
InChIKeyXOUMJBKIUFGTQZ-UHFFFAOYSA-N
XLogP1.57
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-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 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one?
The IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one (CID 154156263) is 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one?
The canonical SMILES for 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one is O=C1CCCCN1c1ncc([N+](=O)[O-])s1.
What is the InChIKey of 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one?
The InChIKey is XOUMJBKIUFGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-6-3-1-2-4-10(6)8-9-5-7(15-8)11(13)14/h5H,1-4H2.
What are the key properties of 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one?
1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one has a molecular weight of 227.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1,3-thiazol-2-yl)piperidin-2-one is sourced from PubChem (CID 154156263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).