(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one

C16H19N3OS — CID 118713900

IUPAC(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c20-15-12-21-16(18-17-14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2/b18-16+
InChIKeyAHUSKJSJTBPIMH-FBMGVBCBSA-N
MW301.41 g/mol
LogP3.44
Rot. Bonds3

About (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118713900) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118713900
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c20-15-12-21-16(18-17-14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2/b18-16+
InChIKeyAHUSKJSJTBPIMH-FBMGVBCBSA-N
XLogP3.44
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.44
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'}

Analyze (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one 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

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
N-benzyl-N-methyl-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135415412
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
N-benzyl-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)thio]acetamide
CID 135402510
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183
(2E)-3-benzyl-2-(cyclopentylidenehydrazono)thiazolidin-4-one
CID 118713897
(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713898
(2E)-3-benzyl-2-[(Z)-(3-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713899
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713902
(2E)-3-benzyl-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713903
(2E)-3-benzyl-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713904

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118713900) is (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2CCCCC2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is AHUSKJSJTBPIMH-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15-12-21-16(18-17-14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2/b18-16+.
What are the key properties of (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 301.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).