2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone

C19H20N2O4S — CID 122329734

IUPAC2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-13-11-14(3-8-17(13)25-2)12-18(22)20-9-10-26-19(20)15-4-6-16(7-5-15)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyFPFKXZGRLYRUHB-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone

2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 122329734) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID122329734
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-13-11-14(3-8-17(13)25-2)12-18(22)20-9-10-26-19(20)15-4-6-16(7-5-15)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyFPFKXZGRLYRUHB-UHFFFAOYSA-N
XLogP3.73
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.73
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

1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
3-(2,4-dichlorophenyl)-1-[(2S)-2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 95776814
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
1-(3-methoxyphenyl)-4-[2-(4-nitrophenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122329707
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
(2S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 1121586
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)ethanone
CID 55331575
2-(3,4-dimethoxyphenyl)-1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4142310
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122345740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 122329734) is 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone is COc1ccc(CC(=O)N2CCSC2c2ccc([N+](=O)[O-])cc2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is FPFKXZGRLYRUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-11-14(3-8-17(13)25-2)12-18(22)20-9-10-26-19(20)15-4-6-16(7-5-15)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 372.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 122329734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).