5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C12H22N2OS — CID 137292322

IUPAC5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCCCCCCC1S/C(=N\C(C)C)NC1=O
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-8-10-11(15)14-12(16-10)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyADWMBDJSRRBTSY-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.95
Rot. Bonds6

About 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 137292322) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID137292322
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCCCCCCC1S/C(=N\C(C)C)NC1=O
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-8-10-11(15)14-12(16-10)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyADWMBDJSRRBTSY-UHFFFAOYSA-N
XLogP2.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
CID 137292329
5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one
CID 137292344
(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135413844
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
CID 137292348
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135820684
(2E)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135437549
(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
CID 135794082
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
[4-[(Z)-[(Z)-[(5R)-5-decyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 136911566
[2-[[(5-decyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]-4-methylphenyl] 4-methylbenzenesulfonate
CID 135521917
3-undecylthiirane-2-thione
CID 174998073

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 137292322) is 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CCCCCCC1S/C(=N\C(C)C)NC1=O.
What is the InChIKey of 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ADWMBDJSRRBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-5-6-7-8-10-11(15)14-12(16-10)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 242.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).