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

C16H14N2O4S — CID 5155468

IUPAC3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O4S/c1-22-12-8-6-11(7-9-12)17-15(19)10-23-16(17)13-4-2-3-5-14(13)18(20)21/h2-9,16H,10H2,1H3
InChIKeyKCRJPGUOPLWCRT-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.38
Rot. Bonds4

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

3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 5155468) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID5155468
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O4S/c1-22-12-8-6-11(7-9-12)17-15(19)10-23-16(17)13-4-2-3-5-14(13)18(20)21/h2-9,16H,10H2,1H3
InChIKeyKCRJPGUOPLWCRT-UHFFFAOYSA-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

2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
4-Thiazolidinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 2796543
2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
3-(4-Hydroxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4055119
3-(4-Hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 4231303
2-(4-Methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-{[(4-methylphenyl)methyl]sulfanyl}ethan-1-one
CID 4229850
(2Z)-3-(4-methoxyphenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
CID 5524005
2-(3-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3364433
2,3-Bis(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080344

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (CID 5155468) is 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is KCRJPGUOPLWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-22-12-8-6-11(7-9-12)17-15(19)10-23-16(17)13-4-2-3-5-14(13)18(20)21/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-2-(2-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 3-(4-methoxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5155468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).