5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C26H20N2O3S3 — CID 57363333

IUPAC5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2SC(C3SC(=S)N(c4ccccc4)C3=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H20N2O3S3/c1-31-20-14-12-17(13-15-20)16-21-23(29)27(18-8-4-2-5-9-18)25(33-21)22-24(30)28(26(32)34-22)19-10-6-3-7-11-19/h2-16,22,25H,1H3
InChIKeyUVTUICBSXPDMBO-UHFFFAOYSA-N
MW504.66 g/mol
LogP5.58
Rot. Bonds5

About 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 57363333) has the molecular formula C26H20N2O3S3 and a molecular weight of 504.66 g/mol. Its IUPAC name is 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID57363333
Molecular FormulaC26H20N2O3S3
Molecular Weight504.66 g/mol
Exact Mass504.06
IUPAC Name5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2SC(C3SC(=S)N(c4ccccc4)C3=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H20N2O3S3/c1-31-20-14-12-17(13-15-20)16-21-23(29)27(18-8-4-2-5-9-18)25(33-21)22-24(30)28(26(32)34-22)19-10-6-3-7-11-19/h2-16,22,25H,1H3
InChIKeyUVTUICBSXPDMBO-UHFFFAOYSA-N
XLogP5.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one 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

3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762463
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845
5-[(4-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 590895
(5E)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1286803
(2S,5E)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40871906
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837372
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1390293
N-[(5R,6R)-6-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazinan-5-yl]benzamide
CID 10624666
(5E)-5-[[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278045
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 57363333) is 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(C=C2SC(C3SC(=S)N(c4ccccc4)C3=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UVTUICBSXPDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S3/c1-31-20-14-12-17(13-15-20)16-21-23(29)27(18-8-4-2-5-9-18)25(33-21)22-24(30)28(26(32)34-22)19-10-6-3-7-11-19/h2-16,22,25H,1H3.
What are the key properties of 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 504.66 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 57363333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).