(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one

C13H21N3OS — CID 135413844

IUPAC(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\N=C2CCCCC2)NC1=O
InChIInChI=1S/C13H21N3OS/c1-2-3-9-11-12(17)14-13(18-11)16-15-10-7-5-4-6-8-10/h11H,2-9H2,1H3,(H,14,16,17)
InChIKeyGWBDZYUFBUEDBD-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.08
Rot. Bonds4

About (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135413844) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135413844
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\N=C2CCCCC2)NC1=O
InChIInChI=1S/C13H21N3OS/c1-2-3-9-11-12(17)14-13(18-11)16-15-10-7-5-4-6-8-10/h11H,2-9H2,1H3,(H,14,16,17)
InChIKeyGWBDZYUFBUEDBD-UHFFFAOYSA-N
XLogP3.08
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.08
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 (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135413844) is (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one is CCCCC1S/C(=N\N=C2CCCCC2)NC1=O.
What is the InChIKey of (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is GWBDZYUFBUEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-3-9-11-12(17)14-13(18-11)16-15-10-7-5-4-6-8-10/h11H,2-9H2,1H3,(H,14,16,17).
What are the key properties of (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 267.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135413844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).