2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one

C11H13N3OS — CID 72741463

IUPAC2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCN(C)N=C1SCC(=O)N1c1ccccc1
InChIInChI=1S/C11H13N3OS/c1-13(2)12-11-14(10(15)8-16-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZHWGBAABXKKSHC-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.60
Rot. Bonds2

About 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one

2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 72741463) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID72741463
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCN(C)N=C1SCC(=O)N1c1ccccc1
InChIInChI=1S/C11H13N3OS/c1-13(2)12-11-14(10(15)8-16-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZHWGBAABXKKSHC-UHFFFAOYSA-N
XLogP1.60
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one (CID 72741463) is 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one is CN(C)N=C1SCC(=O)N1c1ccccc1.
What is the InChIKey of 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is ZHWGBAABXKKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-13(2)12-11-14(10(15)8-16-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one?
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 235.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 72741463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).