4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

C21H18N2O2S2 — CID 2015090

IUPAC4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
SMILESCC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1
InChIInChI=1S/C21H18N2O2S2/c1-14-8-10-17(11-9-14)19(24)22-23-20(25)18(27-21(23)26)13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)/b15-12+,18-13-
InChIKeyOALGZIWSNBLGKC-MNPLYOLFSA-N
MW394.52 g/mol
LogP4.49
Rot. Bonds4

About 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide (PubChem CID 2015090) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
PubChem CID2015090
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC Name4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
SMILESCC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1
InChIInChI=1S/C21H18N2O2S2/c1-14-8-10-17(11-9-14)19(24)22-23-20(25)18(27-21(23)26)13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)/b15-12+,18-13-
InChIKeyOALGZIWSNBLGKC-MNPLYOLFSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide 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

2-methyl-N-(4-oxo-2-sulfanylidene-3-thiazolidinyl)benzamide
CID 1202470
4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425000
N'-Benzoyl-4-methylbenzohydrazide
CID 258698
Di-p-toluohydrazide
CID 73735
4-Methyl-benzoic acid N'-(3-methyl-benzoyl)-hydrazide
CID 806094
2-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-benzamide
CID 6514671
4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 2338838
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274
(Z)-N-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-2-chlorobenzamide
CID 1377510
4-methyl-N'-(phenylacetyl)benzohydrazide
CID 691943
N'1,N'6-bis(4-methylbenzoyl)hexanedihydrazide
CID 3113774
nonyl N-benzamidocarbamodithioate
CID 12948613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide (CID 2015090) is 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1.
What is the InChIKey of 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is OALGZIWSNBLGKC-MNPLYOLFSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c1-14-8-10-17(11-9-14)19(24)22-23-20(25)18(27-21(23)26)13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)/b15-12+,18-13-.
What are the key properties of 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 2015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).