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

C17H13NO3S — CID 2184355

IUPAC(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO3S/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10-
InChIKeyUEACFOXOVJLGLS-GDNBJRDFSA-N
MW311.36 g/mol
LogP3.63
Rot. Bonds3

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

(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2184355) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2184355
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO3S/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10-
InChIKeyUEACFOXOVJLGLS-GDNBJRDFSA-N
XLogP3.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.63
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 (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2184355) is (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UEACFOXOVJLGLS-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10-.
What are the key properties of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 311.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2184355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).