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

C12H19N3OS — CID 135488922

IUPAC(2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1C/C(=N/N=C2/NC(=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 (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135488922) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135488922
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1C/C(=N/N=C2/NC(=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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Related Compounds

(2E)-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 137100912
(2E)-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 137100913
(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 137100915
(2E)-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100916
2-[2-(2-Adamantylidene)hydrazinyl]-1,3-thiazol-4-one
CID 135425031
(2E)-2-[(Z)-(3,3-dimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 145974414
(2Z)-2-[(4-tert-butylcyclohexylidene)hydrazono]-5-methyl-1,3-thiazolidin-4-one
CID 135516988
(2E)-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 137100914
Thiazolidin-4-one, 2-(4-tert-butyl-cyclohexylidenhydrazono)-5-methyl-
CID 135508959
1,3-Thiazolidine-2,4-dione 2-(tricyclo[3.3.1.1~3,7~]dec-2-ylidenehydrazone)
CID 135400351
(2Z)-2-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 145987022
2-[(4-Tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135445856

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135488922) is (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1C/C(=N/N=C2/NC(=O)CS2)CC(C)(C)C1.
What is the InChIKey of (2Z)-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 (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-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 (2Z)-2-[(Z)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135488922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).