2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C14H23N3OS — CID 135445856

IUPAC2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(=NN=C2CCC(C(C)(C)C)CC2)NC1=O
InChIInChI=1S/C14H23N3OS/c1-9-12(18)15-13(19-9)17-16-11-7-5-10(6-8-11)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17,18)/b16-11-
InChIKeyYJLMSRYZGDQCKW-WJDWOHSUSA-N
MW281.42 g/mol
LogP3.19
Rot. Bonds1

About 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135445856) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135445856
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(=NN=C2CCC(C(C)(C)C)CC2)NC1=O
InChIInChI=1S/C14H23N3OS/c1-9-12(18)15-13(19-9)17-16-11-7-5-10(6-8-11)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17,18)/b16-11-
InChIKeyYJLMSRYZGDQCKW-WJDWOHSUSA-N
XLogP3.19
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.19
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-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135445856) is 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1SC(=NN=C2CCC(C(C)(C)C)CC2)NC1=O.
What is the InChIKey of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is YJLMSRYZGDQCKW-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-12(18)15-13(19-9)17-16-11-7-5-10(6-8-11)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17,18)/b16-11-.
What are the key properties of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 281.42 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135445856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).