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

C13H21N3OS — CID 137100915

IUPAC(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1CCCC/C1=N/N=C1\NC(=O)CS1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)9-6-4-5-7-10(9)15-16-12-14-11(17)8-18-12/h9H,4-8H2,1-3H3,(H,14,16,17)/b15-10-
InChIKeyBSCRDUUIEJDXAF-GDNBJRDFSA-N
MW267.40 g/mol
LogP2.80
Rot. Bonds1

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

(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137100915) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137100915
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1CCCC/C1=N/N=C1\NC(=O)CS1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)9-6-4-5-7-10(9)15-16-12-14-11(17)8-18-12/h9H,4-8H2,1-3H3,(H,14,16,17)/b15-10-
InChIKeyBSCRDUUIEJDXAF-GDNBJRDFSA-N
XLogP2.80
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.80
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)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100916
(2E)-2-[(Z)-(3,3-dimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 145974414
1,3-Thiazolidine-2,4-dione 2-[(3,3,5-trimethylcyclohexylidene)hydrazone]
CID 135488922
(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
(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
2-((1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ylidene)hydrazono)thiazolidin-4-one
CID 135518636
2-[(4-Methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172052015

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 137100915) is (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC(C)(C)C1CCCC/C1=N/N=C1\NC(=O)CS1.
What is the InChIKey of (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BSCRDUUIEJDXAF-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)9-6-4-5-7-10(9)15-16-12-14-11(17)8-18-12/h9H,4-8H2,1-3H3,(H,14,16,17)/b15-10-.
What are the key properties of (2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 267.40 g/mol, XLogP of 2.80, 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-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).