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

C13H17N3OS — CID 135534067

IUPAC2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=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 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one

2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135534067) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135534067
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135534067) is 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CSC(=NN=C2C3CC4CC(C3)CC2C4)N1.
What is the InChIKey of 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 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one?
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 2-(2-adamantylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135534067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).