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

C16H14N2O3S — CID 3422181

IUPAC3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14N2O3S/c1-11-4-2-6-13(8-11)17-15(19)10-22-16(17)12-5-3-7-14(9-12)18(20)21/h2-9,16H,10H2,1H3
InChIKeyJVSWGXKNIMFQLR-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.68
Rot. Bonds3

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

3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 3422181) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID3422181
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14N2O3S/c1-11-4-2-6-13(8-11)17-15(19)10-22-16(17)12-5-3-7-14(9-12)18(20)21/h2-9,16H,10H2,1H3
InChIKeyJVSWGXKNIMFQLR-UHFFFAOYSA-N
XLogP3.68
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.68
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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Related Compounds

3-(3-fluoro-4-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228860
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471
3-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4596324
3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228855
(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 765044
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
3-(3-fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 5011010
3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 10524075
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 13005196

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 3422181) is 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is JVSWGXKNIMFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-11-4-2-6-13(8-11)17-15(19)10-22-16(17)12-5-3-7-14(9-12)18(20)21/h2-9,16H,10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 314.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).