(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

C18H12ClNO3S — CID 2266922

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1
InChIInChI=1S/C18H12ClNO3S/c19-14-8-6-12(7-9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10H,11H2/b16-10+
InChIKeyGZFDWBIJGHYTEJ-MHWRWJLKSA-N
MW357.82 g/mol
LogP4.26
Rot. Bonds4

About (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 2266922) has the molecular formula C18H12ClNO3S and a molecular weight of 357.82 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID2266922
Molecular FormulaC18H12ClNO3S
Molecular Weight357.82 g/mol
Exact Mass357.02
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1
InChIInChI=1S/C18H12ClNO3S/c19-14-8-6-12(7-9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10H,11H2/b16-10+
InChIKeyGZFDWBIJGHYTEJ-MHWRWJLKSA-N
XLogP4.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.26
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'}

Analyze (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-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

Related Compounds

1-[2-(4-chlorophenyl)-2-oxoethyl]-2(1H)-pyridinone
CID 3746696
2-[2-(4-chlorophenyl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 716564
5-chloro-1-[2-(4-chlorophenyl)-2-oxoethyl]-2(1H)-pyridinone
CID 901045
(5Z)-5-[(5-chloro-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylidene]-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 76310024
(5Z)-5-[(5-chloro-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 76317255
(5Z)-5-[(5-chloro-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 76324627
(5Z)-5-[(5-chloro-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 76328191
(5Z)-5-[(5-chloro-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylidene]-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 76335437
ethyl (2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2449464
3-[2-(4-Chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 1206165
2(1H)-pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-
CID 3007384
2-[(5E)-5-[[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 50907906

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 2266922) is (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GZFDWBIJGHYTEJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H12ClNO3S/c19-14-8-6-12(7-9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10H,11H2/b16-10+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 357.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2266922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).