(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione

C18H13NO3S — CID 7368541

IUPAC(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H13NO3S/c20-15(14-9-5-2-6-10-14)12-19-17(21)16(23-18(19)22)11-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+
InChIKeyGZCKGJGAXVUCDU-LFIBNONCSA-N
MW323.37 g/mol
LogP3.61
Rot. Bonds4

About (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione

(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 7368541) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID7368541
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H13NO3S/c20-15(14-9-5-2-6-10-14)12-19-17(21)16(23-18(19)22)11-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+
InChIKeyGZCKGJGAXVUCDU-LFIBNONCSA-N
XLogP3.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
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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Related Compounds

(5E)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126233370
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126230258
(5E)-3-phenacyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126230797
(5Z)-5-[(3-nitrophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 18847894
(5E)-5-[(3-chlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 10071546
3-phenacyl-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4005889
(5E)-5-[(3-fluorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 10251395
(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 1334389
(5E)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126230367
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1333414
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 20841128
(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126228603

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 7368541) is (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GZCKGJGAXVUCDU-LFIBNONCSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-15(14-9-5-2-6-10-14)12-19-17(21)16(23-18(19)22)11-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+.
What are the key properties of (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 323.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7368541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).