3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C20H20N2O2S2 — CID 4179195

IUPAC3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)C(=Cc2ccc(SC)cc2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H20N2O2S2/c1-24-13-12-22-19(23)18(14-15-8-10-17(25-2)11-9-15)26-20(22)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b18-14?,21-20-
InChIKeyUOJBQRVMBCLZMP-RKOGECBMSA-N
MW384.53 g/mol
LogP4.66
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 4179195) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID4179195
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)C(=Cc2ccc(SC)cc2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H20N2O2S2/c1-24-13-12-22-19(23)18(14-15-8-10-17(25-2)11-9-15)26-20(22)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b18-14?,21-20-
InChIKeyUOJBQRVMBCLZMP-RKOGECBMSA-N
XLogP4.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126235077
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485026
5-[(4-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3947839
2-[4-[[3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 4264773
(5Z)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 6109591
(5E)-3-(2-methoxyethyl)-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50857395
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 27003690
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 126103499
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4570133
3-(2-methoxyethyl)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5206727
N-(4-fluorophenyl)-2-[4-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 6254716
3-(2-methoxyethyl)-2-phenylimino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5204943

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 4179195) is 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COCCN1C(=O)C(=Cc2ccc(SC)cc2)S/C1=N\c1ccccc1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UOJBQRVMBCLZMP-RKOGECBMSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-24-13-12-22-19(23)18(14-15-8-10-17(25-2)11-9-15)26-20(22)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b18-14?,21-20-.
What are the key properties of 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 384.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4179195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).