2-benzylimino-5-hexyl-1,3-thiazolidin-4-one

C16H22N2OS — CID 137292329

IUPAC2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
SMILESCCCCCCC1S/C(=N/Cc2ccccc2)NC1=O
InChIInChI=1S/C16H22N2OS/c1-2-3-4-8-11-14-15(19)18-16(20-14)17-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18,19)
InChIKeyUJMYEIURVVLDRM-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds7

About 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one

2-benzylimino-5-hexyl-1,3-thiazolidin-4-one (PubChem CID 137292329) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
PubChem CID137292329
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
SMILESCCCCCCC1S/C(=N/Cc2ccccc2)NC1=O
InChIInChI=1S/C16H22N2OS/c1-2-3-4-8-11-14-15(19)18-16(20-14)17-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18,19)
InChIKeyUJMYEIURVVLDRM-UHFFFAOYSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
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'}

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Related Compounds

2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292322
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
[2-[(E)-[(E)-(5-heptyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-iodobenzenesulfonate
CID 171977250
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
(2E)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135437549
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135820684
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one (CID 137292329) is 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one is CCCCCCC1S/C(=N/Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one?
The InChIKey is UJMYEIURVVLDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-3-4-8-11-14-15(19)18-16(20-14)17-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18,19).
What are the key properties of 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one?
2-benzylimino-5-hexyl-1,3-thiazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-5-hexyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).