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

C10H15N3OS — CID 137100912

IUPAC(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCCC/C1=N/N=C1\NC(=O)CS1
InChIInChI=1S/C10H15N3OS/c1-7-4-2-3-5-8(7)12-13-10-11-9(14)6-15-10/h7H,2-6H2,1H3,(H,11,13,14)/b12-8-
InChIKeyIIKLFYJERDSTJF-WQLSENKSSA-N
MW225.32 g/mol
LogP1.77
Rot. Bonds1

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

(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137100912) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137100912
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCCC/C1=N/N=C1\NC(=O)CS1
InChIInChI=1S/C10H15N3OS/c1-7-4-2-3-5-8(7)12-13-10-11-9(14)6-15-10/h7H,2-6H2,1H3,(H,11,13,14)/b12-8-
InChIKeyIIKLFYJERDSTJF-WQLSENKSSA-N
XLogP1.77
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.77
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)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 137100912) is (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1CCCC/C1=N/N=C1\NC(=O)CS1.
What is the InChIKey of (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IIKLFYJERDSTJF-WQLSENKSSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-4-2-3-5-8(7)12-13-10-11-9(14)6-15-10/h7H,2-6H2,1H3,(H,11,13,14)/b12-8-.
What are the key properties of (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 225.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).