3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one

C15H10ClFN2O3S — CID 5233451

IUPAC3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFN2O3S/c16-12-7-10(17)4-5-13(12)18-14(20)8-23-15(18)9-2-1-3-11(6-9)19(21)22/h1-7,15H,8H2
InChIKeyWKPWSMBVVWZIMT-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.17
Rot. Bonds3

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

3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 5233451) has the molecular formula C15H10ClFN2O3S and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID5233451
Molecular FormulaC15H10ClFN2O3S
Molecular Weight352.77 g/mol
Exact Mass352.01
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFN2O3S/c16-12-7-10(17)4-5-13(12)18-14(20)8-23-15(18)9-2-1-3-11(6-9)19(21)22/h1-7,15H,8H2
InChIKeyWKPWSMBVVWZIMT-UHFFFAOYSA-N
XLogP4.17
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.17
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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Related Compounds

2-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
3-(4-Nitrophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 2844987
2-(4-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4023489
3-(3-Fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 4231304
3-(2-Fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4256051
3-(2-Fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5043536
3-Benzyl-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 2840422
2-(2-Chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4247898
2-(2-Chloro-6-fluorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4247900
2-(2-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3422092
3-(2,6-Difluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4055122
3-(3-Fluoro-4-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228860

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 5233451) is 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is WKPWSMBVVWZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3S/c16-12-7-10(17)4-5-13(12)18-14(20)8-23-15(18)9-2-1-3-11(6-9)19(21)22/h1-7,15H,8H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 352.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5233451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).