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

C20H16N2O4S4 — CID 4762463

IUPAC3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)C(C3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1
InChIInChI=1S/C20H16N2O4S4/c1-25-13-7-3-11(4-8-13)21-17(23)15(29-19(21)27)16-18(24)22(20(28)30-16)12-5-9-14(26-2)10-6-12/h3-10,15-16H,1-2H3
InChIKeyMXWDLZYSBSYEHY-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.87
Rot. Bonds5

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

3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4762463) has the molecular formula C20H16N2O4S4 and a molecular weight of 476.63 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4762463
Molecular FormulaC20H16N2O4S4
Molecular Weight476.63 g/mol
Exact Mass476.00
IUPAC Name3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)C(C3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1
InChIInChI=1S/C20H16N2O4S4/c1-25-13-7-3-11(4-8-13)21-17(23)15(29-19(21)27)16-18(24)22(20(28)30-16)12-5-9-14(26-2)10-6-12/h3-10,15-16H,1-2H3
InChIKeyMXWDLZYSBSYEHY-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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
N-[(5R,6R)-6-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazinan-5-yl]benzamide
CID 10624666
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
(3S,3aS,6aS)-3-hydroxy-5-(4-methoxyphenyl)-2,3,3a,6a-tetrahydrothieno[2,3-c]pyrrole-4,6-dione
CID 122364121
3-(4-methoxyphenyl)-8aH-cyclohepta[d][1,3]thiazole-2-thione
CID 15074686
1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one
CID 11020381
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(2R)-4-(4-methoxyphenyl)-2-methylthiomorpholine-3,5-dione
CID 1483431
2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375
6-(4-methoxyphenyl)-2,4-diphenyl-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-5,7-dione
CID 138115692
17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3097565
(1S,2S,6S,7S)-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306216

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 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) is 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)C(C3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MXWDLZYSBSYEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S4/c1-25-13-7-3-11(4-8-13)21-17(23)15(29-19(21)27)16-18(24)22(20(28)30-16)12-5-9-14(26-2)10-6-12/h3-10,15-16H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 476.63 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4762463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).