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

C11H9NO3S — CID 19079253

IUPAC(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione
SMILESCOc1ccc(/C=C2\NC(=O)SC2=O)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-6H,1H3,(H,12,14)/b9-6-
InChIKeyHGZJFYKLDIBVKD-TWGQIWQCSA-N
MW235.26 g/mol
LogP2.02
Rot. Bonds2

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

(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione (PubChem CID 19079253) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione
PubChem CID19079253
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione
SMILESCOc1ccc(/C=C2\NC(=O)SC2=O)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-6H,1H3,(H,12,14)/b9-6-
InChIKeyHGZJFYKLDIBVKD-TWGQIWQCSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione?
The IUPAC name of (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione (CID 19079253) is (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione is COc1ccc(/C=C2\NC(=O)SC2=O)cc1.
What is the InChIKey of (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione?
The InChIKey is HGZJFYKLDIBVKD-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-6H,1H3,(H,12,14)/b9-6-.
What are the key properties of (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione?
(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione has a molecular weight of 235.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 19079253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).