(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one

C13H17N3OS — CID 135425031

IUPAC(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2C3CC4CC(C3)CC2C4)N1
InChIInChI=1S/C13H17N3OS/c17-11-6-18-13(14-11)16-15-12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H,14,16,17)/b15-12-
InChIKeyGRQFKZOXHUGPKM-QINSGFPZSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds1

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

(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135425031) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135425031
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2C3CC4CC(C3)CC2C4)N1
InChIInChI=1S/C13H17N3OS/c17-11-6-18-13(14-11)16-15-12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H,14,16,17)/b15-12-
InChIKeyGRQFKZOXHUGPKM-QINSGFPZSA-N
XLogP2.02
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
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)-2-(2-adamantylidenehydrazinylidene)-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

(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100916
1,3-Thiazolidine-2,4-dione 2-[(3,3,5-trimethylcyclohexylidene)hydrazone]
CID 135488922
1,3-Thiazolidine-2,4-dione 2-(tricyclo[3.3.1.1~3,7~]dec-2-ylidenehydrazone)
CID 135400351
2-(2-Adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135534067
2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172967169
2-[(3,3,5-Trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135438229
(2Z)-2-[(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135850672
(2E)-2-[(E)-1-cyclohexylethylidenehydrazono]thiazolidin-4-one
CID 137221934
(2E)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135599610
(2E)-1,3-thiazolidine-2,4-dione 2-{[(1E)-1-(1-adamantyl)ethylidene]hydrazone}
CID 135633895
(2Z)-2-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135772125
(2Z)-2-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135772126

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135425031) is (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2C3CC4CC(C3)CC2C4)N1.
What is the InChIKey of (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is GRQFKZOXHUGPKM-QINSGFPZSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-11-6-18-13(14-11)16-15-12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6H2,(H,14,16,17)/b15-12-.
What are the key properties of (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135425031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).