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

C19H17NO2S — CID 11255764

IUPAC(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C19H17NO2S/c1-13-3-7-15(8-4-13)11-17-18(21)20(19(22)23-17)12-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3/b17-11-
InChIKeyXQAJPLCWBVEMOD-BOPFTXTBSA-N
MW323.42 g/mol
LogP4.54
Rot. Bonds3

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

(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11255764) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11255764
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C19H17NO2S/c1-13-3-7-15(8-4-13)11-17-18(21)20(19(22)23-17)12-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3/b17-11-
InChIKeyXQAJPLCWBVEMOD-BOPFTXTBSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 11255764) is (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XQAJPLCWBVEMOD-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-13-3-7-15(8-4-13)11-17-18(21)20(19(22)23-17)12-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3/b17-11-.
What are the key properties of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 323.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11255764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).