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

C13H21N3OS — CID 135519634

IUPAC2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1CCC(=NN=C2NC(=O)CS2)CC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)9-4-6-10(7-5-9)15-16-12-14-11(17)8-18-12/h9H,4-8H2,1-3H3,(H,14,16,17)/b15-10-
InChIKeyMOVBREGZOYEGHE-GDNBJRDFSA-N
MW267.40 g/mol
LogP2.80
Rot. Bonds1

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

2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135519634) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135519634
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1CCC(=NN=C2NC(=O)CS2)CC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)9-4-6-10(7-5-9)15-16-12-14-11(17)8-18-12/h9H,4-8H2,1-3H3,(H,14,16,17)/b15-10-
InChIKeyMOVBREGZOYEGHE-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135519634) is 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC(C)(C)C1CCC(=NN=C2NC(=O)CS2)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MOVBREGZOYEGHE-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)9-4-6-10(7-5-9)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 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-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 2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135519634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).