2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one

C17H18N2O3S — CID 42803990

IUPAC2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(N2C(=O)CSC2c2ccc(N)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-8-15(22-2)14(9-13)19-16(20)10-23-17(19)11-3-5-12(18)6-4-11/h3-9,17H,10,18H2,1-2H3
InChIKeyIJJXWDZKJXRSDD-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one

2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 42803990) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID42803990
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(N2C(=O)CSC2c2ccc(N)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-8-15(22-2)14(9-13)19-16(20)10-23-17(19)11-3-5-12(18)6-4-11/h3-9,17H,10,18H2,1-2H3
InChIKeyIJJXWDZKJXRSDD-UHFFFAOYSA-N
XLogP3.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 24716509
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054923
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
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127988
N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42804330
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 155924849

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 42803990) is 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(N2C(=O)CSC2c2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IJJXWDZKJXRSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-13-7-8-15(22-2)14(9-13)19-16(20)10-23-17(19)11-3-5-12(18)6-4-11/h3-9,17H,10,18H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42803990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).