2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C12H19N3OS — CID 172967169

IUPAC2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1C/C(=N/N=C2NC(=O)CS2)CC(C)(C)C1
InChIInChI=1S/C12H19N3OS/c1-8-4-9(6-12(2,3)5-8)14-15-11-13-10(16)7-17-11/h8H,4-7H2,1-3H3,(H,13,15,16)/b14-9-
InChIKeyGKIBALMFDWYXPK-ZROIWOOFSA-N
MW253.37 g/mol
LogP2.41
Rot. Bonds1

About 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one

2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172967169) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172967169
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1C/C(=N/N=C2NC(=O)CS2)CC(C)(C)C1
InChIInChI=1S/C12H19N3OS/c1-8-4-9(6-12(2,3)5-8)14-15-11-13-10(16)7-17-11/h8H,4-7H2,1-3H3,(H,13,15,16)/b14-9-
InChIKeyGKIBALMFDWYXPK-ZROIWOOFSA-N
XLogP2.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.41
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-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 172967169) is 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1C/C(=N/N=C2NC(=O)CS2)CC(C)(C)C1.
What is the InChIKey of 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is GKIBALMFDWYXPK-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-9(6-12(2,3)5-8)14-15-11-13-10(16)7-17-11/h8H,4-7H2,1-3H3,(H,13,15,16)/b14-9-.
What are the key properties of 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 253.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172967169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).