2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one

C17H18N2OS — CID 24716509

IUPAC2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(N)cc2)c1C
InChIInChI=1S/C17H18N2OS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10,18H2,1-2H3
InChIKeyFXNBYECXLBRJMJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.66
Rot. Bonds2

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

2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 24716509) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID24716509
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(N)cc2)c1C
InChIInChI=1S/C17H18N2OS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10,18H2,1-2H3
InChIKeyFXNBYECXLBRJMJ-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one (CID 24716509) is 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2ccc(N)cc2)c1C.
What is the InChIKey of 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is FXNBYECXLBRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10,18H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24716509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).