2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H21N3O2S — CID 168574250

IUPAC2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(COC3CCCCC3)cc2)N1
InChIInChI=1S/C17H21N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-14(9-7-13)11-22-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12H2,(H,19,20,21)
InChIKeyZKXDVVNYVSMANX-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.09
Rot. Bonds5

About 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574250) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574250
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(COC3CCCCC3)cc2)N1
InChIInChI=1S/C17H21N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-14(9-7-13)11-22-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12H2,(H,19,20,21)
InChIKeyZKXDVVNYVSMANX-UHFFFAOYSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574250) is 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(COC3CCCCC3)cc2)N1.
What is the InChIKey of 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZKXDVVNYVSMANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-14(9-7-13)11-22-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12H2,(H,19,20,21).
What are the key properties of 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 331.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).