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

C8H5N3O3S — CID 58710081

IUPAC5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc([N+](=O)[O-])cc1-c1cncs1
InChIInChI=1S/C8H5N3O3S/c12-8-6(7-3-9-4-15-7)1-5(2-10-8)11(13)14/h1-4H,(H,10,12)
InChIKeyUINXFDDATSZTGY-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.41
Rot. Bonds2

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

5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 58710081) has the molecular formula C8H5N3O3S and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID58710081
Molecular FormulaC8H5N3O3S
Molecular Weight223.21 g/mol
Exact Mass223.01
IUPAC Name5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc([N+](=O)[O-])cc1-c1cncs1
InChIInChI=1S/C8H5N3O3S/c12-8-6(7-3-9-4-15-7)1-5(2-10-8)11(13)14/h1-4H,(H,10,12)
InChIKeyUINXFDDATSZTGY-UHFFFAOYSA-N
XLogP1.41
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 58710081) is 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is O=c1[nH]cc([N+](=O)[O-])cc1-c1cncs1.
What is the InChIKey of 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is UINXFDDATSZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3S/c12-8-6(7-3-9-4-15-7)1-5(2-10-8)11(13)14/h1-4H,(H,10,12).
What are the key properties of 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 223.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58710081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).