(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H17N3OS — CID 137100916

IUPAC(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)CS1)C1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-8(9-5-3-2-4-6-9)13-14-11-12-10(15)7-16-11/h9H,2-7H2,1H3,(H,12,14,15)/b13-8-
InChIKeyAUDQMTZYFIQVAJ-JYRVWZFOSA-N
MW239.34 g/mol
LogP2.16
Rot. Bonds2

About (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137100916) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137100916
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)CS1)C1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-8(9-5-3-2-4-6-9)13-14-11-12-10(15)7-16-11/h9H,2-7H2,1H3,(H,12,14,15)/b13-8-
InChIKeyAUDQMTZYFIQVAJ-JYRVWZFOSA-N
XLogP2.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.16
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 (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137100916) is (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\NC(=O)CS1)C1CCCCC1.
What is the InChIKey of (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AUDQMTZYFIQVAJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(9-5-3-2-4-6-9)13-14-11-12-10(15)7-16-11/h9H,2-7H2,1H3,(H,12,14,15)/b13-8-.
What are the key properties of (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 239.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).