5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione

C17H17N3O2S — CID 16643928

IUPAC5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccccc2)C(=O)N1CCNc1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-16-15(19-14-9-5-2-6-10-14)23-17(22)20(16)12-11-18-13-7-3-1-4-8-13/h1-10,15,18-19H,11-12H2
InChIKeyWMFAZKFGGHSKLB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.23
Rot. Bonds6

About 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione

5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 16643928) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione
PubChem CID16643928
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccccc2)C(=O)N1CCNc1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-16-15(19-14-9-5-2-6-10-14)23-17(22)20(16)12-11-18-13-7-3-1-4-8-13/h1-10,15,18-19H,11-12H2
InChIKeyWMFAZKFGGHSKLB-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione (CID 16643928) is 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione is O=C1SC(Nc2ccccc2)C(=O)N1CCNc1ccccc1.
What is the InChIKey of 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WMFAZKFGGHSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-16-15(19-14-9-5-2-6-10-14)23-17(22)20(16)12-11-18-13-7-3-1-4-8-13/h1-10,15,18-19H,11-12H2.
What are the key properties of 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione?
5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 327.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16643928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).