2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide

C18H20N2O5S3 — CID 71964900

IUPAC2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
SMILESCOc1ccc(OC)c(C=C2SC(=S)N(CC(=O)NC3CSCC3O)C2=O)c1
InChIInChI=1S/C18H20N2O5S3/c1-24-11-3-4-14(25-2)10(5-11)6-15-17(23)20(18(26)28-15)7-16(22)19-12-8-27-9-13(12)21/h3-6,12-13,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyYNOZPCPYXFDODM-UHFFFAOYSA-N
MW440.57 g/mol
LogP1.50
Rot. Bonds6

About 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide

2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide (PubChem CID 71964900) has the molecular formula C18H20N2O5S3 and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
PubChem CID71964900
Molecular FormulaC18H20N2O5S3
Molecular Weight440.57 g/mol
Exact Mass440.05
IUPAC Name2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
SMILESCOc1ccc(OC)c(C=C2SC(=S)N(CC(=O)NC3CSCC3O)C2=O)c1
InChIInChI=1S/C18H20N2O5S3/c1-24-11-3-4-14(25-2)10(5-11)6-15-17(23)20(18(26)28-15)7-16(22)19-12-8-27-9-13(12)21/h3-6,12-13,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyYNOZPCPYXFDODM-UHFFFAOYSA-N
XLogP1.50
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide 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

N-(4-hydroxythiolan-3-yl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 45369798
2-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxythiolan-3-yl]acetamide
CID 94545379
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2164402
2-[5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 5030744
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34552190
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 6227091
2-[5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1333494
propyl 4-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
CID 19199469
N-(4-methoxyphenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 6393254
cyclohexyl 2-[5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 1405131
2-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 126356712
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 4970367

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The IUPAC name of 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide (CID 71964900) is 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide.
What is the SMILES notation for 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The canonical SMILES for 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide is COc1ccc(OC)c(C=C2SC(=S)N(CC(=O)NC3CSCC3O)C2=O)c1.
What is the InChIKey of 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The InChIKey is YNOZPCPYXFDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S3/c1-24-11-3-4-14(25-2)10(5-11)6-15-17(23)20(18(26)28-15)7-16(22)19-12-8-27-9-13(12)21/h3-6,12-13,21H,7-9H2,1-2H3,(H,19,22).
What are the key properties of 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide is sourced from PubChem (CID 71964900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).