3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C14H11N3O3S — CID 13304122

IUPAC3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3S/c18-13-9-21-14(10-2-1-7-15-8-10)16(13)11-3-5-12(6-4-11)17(19)20/h1-8,14H,9H2
InChIKeyVYNYAURPQOMFPH-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 13304122) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID13304122
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3S/c18-13-9-21-14(10-2-1-7-15-8-10)16(13)11-3-5-12(6-4-11)17(19)20/h1-8,14H,9H2
InChIKeyVYNYAURPQOMFPH-UHFFFAOYSA-N
XLogP2.77
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 13304122) is 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is VYNYAURPQOMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13-9-21-14(10-2-1-7-15-8-10)16(13)11-3-5-12(6-4-11)17(19)20/h1-8,14H,9H2.
What are the key properties of 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 301.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 13304122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).