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

C16H14N2O4S — CID 6935158

IUPAC(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H14N2O4S/c1-22-14-8-6-12(7-9-14)17-15(19)10-23-16(17)11-2-4-13(5-3-11)18(20)21/h2-9,16H,10H2,1H3/t16-/m1/s1
InChIKeyJCLDSKJWYOMLMO-MRXNPFEDSA-N
MW330.37 g/mol
LogP3.38
Rot. Bonds4

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

(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 6935158) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID6935158
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H14N2O4S/c1-22-14-8-6-12(7-9-14)17-15(19)10-23-16(17)11-2-4-13(5-3-11)18(20)21/h2-9,16H,10H2,1H3/t16-/m1/s1
InChIKeyJCLDSKJWYOMLMO-MRXNPFEDSA-N
XLogP3.38
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
4-[(2S)-2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 40546373
3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 132549059
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228855
3-(3,5-dichlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 126476201
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
(2R)-3-(3-chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 765044

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (CID 6935158) is (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is JCLDSKJWYOMLMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-22-14-8-6-12(7-9-14)17-15(19)10-23-16(17)11-2-4-13(5-3-11)18(20)21/h2-9,16H,10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 330.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6935158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).