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

C15H18N2O3S — CID 3773482

IUPAC3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc([N+](=O)[O-])cc2)N1C1CCCCC1
InChIInChI=1S/C15H18N2O3S/c18-14-10-21-15(16(14)12-4-2-1-3-5-12)11-6-8-13(9-7-11)17(19)20/h6-9,12,15H,1-5,10H2
InChIKeyQVHCHTNCTBYPLL-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.50
Rot. Bonds3

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

3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 3773482) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID3773482
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc([N+](=O)[O-])cc2)N1C1CCCCC1
InChIInChI=1S/C15H18N2O3S/c18-14-10-21-15(16(14)12-4-2-1-3-5-12)11-6-8-13(9-7-11)17(19)20/h6-9,12,15H,1-5,10H2
InChIKeyQVHCHTNCTBYPLL-UHFFFAOYSA-N
XLogP3.50
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.50
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-Diphenyl-4-thiazolidinone
CID 98327
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
2-(3-Nitrophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840479
3-Bicyclo[2.2.1]hept-2-yl-2-(3-nitro-phenyl)-thiazolidin-4-one
CID 3727630
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
2-(4-Nitrophenyl)-1,3-thiazolidine
CID 2771066
N-[2-(4-Methyl-benzylsulfanyl)-ethyl]-2-(4-nitro-benzylsulfanyl)-acetamide
CID 2281832
N-(1-isopropyl-2-methylpropyl)-2-[(4-nitrobenzyl)thio]acetamide
CID 2282192

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one (CID 3773482) is 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is QVHCHTNCTBYPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-14-10-21-15(16(14)12-4-2-1-3-5-12)11-6-8-13(9-7-11)17(19)20/h6-9,12,15H,1-5,10H2.
What are the key properties of 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one?
3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 306.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3773482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).