2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide

C22H19N3O2S — CID 71902406

IUPAC2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
SMILESCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-8-6-7-11-17(15)12-19-21(27)25(14-16-9-4-3-5-10-16)22(28-19)18(13-23)20(26)24-2/h3-12H,14H2,1-2H3,(H,24,26)
InChIKeyHHEVQZBFZFCGEW-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.52
Rot. Bonds4

About 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide

2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide (PubChem CID 71902406) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide.

Molecular Properties

Compound Name2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
PubChem CID71902406
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
SMILESCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-8-6-7-11-17(15)12-19-21(27)25(14-16-9-4-3-5-10-16)22(28-19)18(13-23)20(26)24-2/h3-12H,14H2,1-2H3,(H,24,26)
InChIKeyHHEVQZBFZFCGEW-UHFFFAOYSA-N
XLogP1.52
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide?
The IUPAC name of 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide (CID 71902406) is 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide.
What is the SMILES notation for 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide?
The canonical SMILES for 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide is CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide?
The InChIKey is HHEVQZBFZFCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-8-6-7-11-17(15)12-19-21(27)25(14-16-9-4-3-5-10-16)22(28-19)18(13-23)20(26)24-2/h3-12H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide?
2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide has a molecular weight of 389.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide is sourced from PubChem (CID 71902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).