(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C17H21N3OS — CID 118713902

IUPAC(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCC/C(=N/N=C2/SCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-6-5-9-15(10-13)18-19-17-20(16(21)12-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-15-,19-17+
InChIKeyCFAWXGDFDAECFZ-KRFFEMNTSA-N
MW315.44 g/mol
LogP3.68
Rot. Bonds3

About (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713902) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713902
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCC/C(=N/N=C2/SCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-6-5-9-15(10-13)18-19-17-20(16(21)12-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-15-,19-17+
InChIKeyCFAWXGDFDAECFZ-KRFFEMNTSA-N
XLogP3.68
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.68
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-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

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
(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-(cyclohexylidenehydrazono)thiazolidin-4-one
CID 118713900
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(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
(2E)-3-benzyl-2-(cycloheptylidenehydrazono)thiazolidin-4-one
CID 118713905
(2E)-3-benzyl-2-(cyclooctylidenehydrazono)thiazolidin-4-one
CID 118713906

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 118713902) is (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1CCC/C(=N/N=C2/SCC(=O)N2Cc2ccccc2)C1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CFAWXGDFDAECFZ-KRFFEMNTSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-6-5-9-15(10-13)18-19-17-20(16(21)12-22-17)11-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-15-,19-17+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 315.44 g/mol, XLogP of 3.68, 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-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).