5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

C17H15ClN2O2S — CID 3722964

IUPAC5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)SC(Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-11-2-4-12(5-3-11)10-20-16(21)15(23-17(20)22)19-14-8-6-13(18)7-9-14/h2-9,15,19H,10H2,1H3
InChIKeyZVCGHCOZWCLRDQ-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.28
Rot. Bonds4

About 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3722964) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID3722964
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)SC(Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-11-2-4-12(5-3-11)10-20-16(21)15(23-17(20)22)19-14-8-6-13(18)7-9-14/h2-9,15,19H,10H2,1H3
InChIKeyZVCGHCOZWCLRDQ-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 3722964) is 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(CN2C(=O)SC(Nc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZVCGHCOZWCLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11-2-4-12(5-3-11)10-20-16(21)15(23-17(20)22)19-14-8-6-13(18)7-9-14/h2-9,15,19H,10H2,1H3.
What are the key properties of 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 346.84 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3722964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).