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

C15H11ClN2O3S — CID 765044

IUPAC(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O3S/c16-11-2-1-3-13(8-11)17-14(19)9-22-15(17)10-4-6-12(7-5-10)18(20)21/h1-8,15H,9H2/t15-/m1/s1
InChIKeyPVWDAGSOHPSVGQ-OAHLLOKOSA-N
MW334.78 g/mol
LogP4.03
Rot. Bonds3

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

(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 765044) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID765044
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O3S/c16-11-2-1-3-13(8-11)17-14(19)9-22-15(17)10-4-6-12(7-5-10)18(20)21/h1-8,15H,9H2/t15-/m1/s1
InChIKeyPVWDAGSOHPSVGQ-OAHLLOKOSA-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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Related Compounds

3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 126476201
3-(3-fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 5011010
3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228855
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 3422181
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
4-[(2S)-2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 40546373
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
3-(3-chlorophenyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
CID 503745
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471
3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304122

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (CID 765044) is (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1.
What is the InChIKey of (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is PVWDAGSOHPSVGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-11-2-1-3-13(8-11)17-14(19)9-22-15(17)10-4-6-12(7-5-10)18(20)21/h1-8,15H,9H2/t15-/m1/s1.
What are the key properties of (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
(2R)-3-(3-chlorophenyl)-2-(4-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 (2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 765044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).