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

C12H11NO2S2 — CID 2171470

IUPAC(5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCSc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)15)7-8-3-5-9(16-2)6-4-8/h3-7H,1-2H3/b10-7-
InChIKeyQNLMZLUXYLNAGM-YFHOEESVSA-N
MW265.36 g/mol
LogP3.07
Rot. Bonds2

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

(5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2171470) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2171470
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name(5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCSc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)15)7-8-3-5-9(16-2)6-4-8/h3-7H,1-2H3/b10-7-
InChIKeyQNLMZLUXYLNAGM-YFHOEESVSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'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-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2171470) is (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CSc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QNLMZLUXYLNAGM-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)15)7-8-3-5-9(16-2)6-4-8/h3-7H,1-2H3/b10-7-.
What are the key properties of (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2171470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).