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

C16H11NO2S — CID 10446453

IUPAC(5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C16H11NO2S/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)/b14-10-
InChIKeyRHRLYVRWKISPMD-UVTDQMKNSA-N
MW281.34 g/mol
LogP3.68
Rot. Bonds2

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

(5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10446453) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10446453
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name(5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S1
InChIInChI=1S/C16H11NO2S/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)/b14-10-
InChIKeyRHRLYVRWKISPMD-UVTDQMKNSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
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)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 10446453) is (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S1.
What is the InChIKey of (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RHRLYVRWKISPMD-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)/b14-10-.
What are the key properties of (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10446453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).