(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C23H15NO3S — CID 53376470

IUPAC(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)S1
InChIInChI=1S/C23H15NO3S/c25-20(19-11-10-17-3-1-2-4-18(17)14-19)12-9-15-5-7-16(8-6-15)13-21-22(26)24-23(27)28-21/h1-14H,(H,24,26,27)/b12-9+,21-13-
InChIKeyWTRFLVQGAWYZQS-FTTJZNGKSA-N
MW385.44 g/mol
LogP5.06
Rot. Bonds4

About (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 53376470) has the molecular formula C23H15NO3S and a molecular weight of 385.44 g/mol. Its IUPAC name is (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID53376470
Molecular FormulaC23H15NO3S
Molecular Weight385.44 g/mol
Exact Mass385.08
IUPAC Name(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)S1
InChIInChI=1S/C23H15NO3S/c25-20(19-11-10-17-3-1-2-4-18(17)14-19)12-9-15-5-7-16(8-6-15)13-21-22(26)24-23(27)28-21/h1-14H,(H,24,26,27)/b12-9+,21-13-
InChIKeyWTRFLVQGAWYZQS-FTTJZNGKSA-N
XLogP5.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.06
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'}

Analyze (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 53376470) is (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WTRFLVQGAWYZQS-FTTJZNGKSA-N. The full InChI is InChI=1S/C23H15NO3S/c25-20(19-11-10-17-3-1-2-4-18(17)14-19)12-9-15-5-7-16(8-6-15)13-21-22(26)24-23(27)28-21/h1-14H,(H,24,26,27)/b12-9+,21-13-.
What are the key properties of (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 53376470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).