3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

C15H10Cl2N2O3S — CID 126476201

IUPAC3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3S/c16-10-5-11(17)7-13(6-10)18-14(20)8-23-15(18)9-1-3-12(4-2-9)19(21)22/h1-7,15H,8H2
InChIKeyHSWGYZASJSPXOC-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.68
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 126476201) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID126476201
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3S/c16-10-5-11(17)7-13(6-10)18-14(20)8-23-15(18)9-1-3-12(4-2-9)19(21)22/h1-7,15H,8H2
InChIKeyHSWGYZASJSPXOC-UHFFFAOYSA-N
XLogP4.68
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (CID 126476201) is 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is HSWGYZASJSPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c16-10-5-11(17)7-13(6-10)18-14(20)8-23-15(18)9-1-3-12(4-2-9)19(21)22/h1-7,15H,8H2.
What are the key properties of 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 369.23 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126476201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).