3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one

C15H11ClN2O3S — CID 5055513

IUPAC3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O3S/c16-11-4-2-5-12(8-11)17-14(19)9-22-15(17)10-3-1-6-13(7-10)18(20)21/h1-8,15H,9H2
InChIKeyQEFWQCZCMZCMGB-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.03
Rot. Bonds3

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

3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 5055513) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID5055513
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O3S/c16-11-4-2-5-12(8-11)17-14(19)9-22-15(17)10-3-1-6-13(7-10)18(20)21/h1-8,15H,9H2
InChIKeyQEFWQCZCMZCMGB-UHFFFAOYSA-N
XLogP4.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.03
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-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 5055513) is 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is QEFWQCZCMZCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-11-4-2-5-12(8-11)17-14(19)9-22-15(17)10-3-1-6-13(7-10)18(20)21/h1-8,15H,9H2.
What are the key properties of 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 334.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5055513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).