(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C26H17NO3S — CID 71451205

IUPAC(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)S1
InChIInChI=1S/C26H17NO3S/c28-23(19-10-11-22-20(15-19)14-18-3-1-2-4-21(18)22)12-9-16-5-7-17(8-6-16)13-24-25(29)27-26(30)31-24/h1-13,15H,14H2,(H,27,29,30)/b12-9+,24-13-
InChIKeyPPLWDAXRFLMWMW-FQQRUHGCSA-N
MW423.49 g/mol
LogP5.48
Rot. Bonds4

About (5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 71451205) has the molecular formula C26H17NO3S and a molecular weight of 423.49 g/mol. Its IUPAC name is (5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID71451205
Molecular FormulaC26H17NO3S
Molecular Weight423.49 g/mol
Exact Mass423.09
IUPAC Name(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)S1
InChIInChI=1S/C26H17NO3S/c28-23(19-10-11-22-20(15-19)14-18-3-1-2-4-21(18)22)12-9-16-5-7-17(8-6-16)13-24-25(29)27-26(30)31-24/h1-13,15H,14H2,(H,27,29,30)/b12-9+,24-13-
InChIKeyPPLWDAXRFLMWMW-FQQRUHGCSA-N
XLogP5.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.48
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)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 71451205) is (5Z)-5-[[4-[(E)-3-(9H-fluoren-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-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(E)-3-(9H-fluoren-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)c3ccc4c(c3)Cc3ccccc3-4)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PPLWDAXRFLMWMW-FQQRUHGCSA-N. The full InChI is InChI=1S/C26H17NO3S/c28-23(19-10-11-22-20(15-19)14-18-3-1-2-4-21(18)22)12-9-16-5-7-17(8-6-16)13-24-25(29)27-26(30)31-24/h1-13,15H,14H2,(H,27,29,30)/b12-9+,24-13-.
What are the key properties of (5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(E)-3-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 5.48, 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-(9H-fluoren-2-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71451205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).