2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one

C16H16N2OS — CID 137292315

IUPAC2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\c2cccc3ccccc23)NC1=O
InChIInChI=1S/C16H16N2OS/c1-2-6-14-15(19)18-16(20-14)17-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,17,18,19)
InChIKeyPQGXATURGRWDBK-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.86
Rot. Bonds3

About 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one

2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one (PubChem CID 137292315) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
PubChem CID137292315
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\c2cccc3ccccc23)NC1=O
InChIInChI=1S/C16H16N2OS/c1-2-6-14-15(19)18-16(20-14)17-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,17,18,19)
InChIKeyPQGXATURGRWDBK-UHFFFAOYSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 135852394
(2E)-2-[(E)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 136722471
5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135706945
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
CID 145316942
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172936341
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
CID 137292348
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
CID 137292329

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one (CID 137292315) is 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one is CCCC1S/C(=N\c2cccc3ccccc23)NC1=O.
What is the InChIKey of 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is PQGXATURGRWDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-6-14-15(19)18-16(20-14)17-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,17,18,19).
What are the key properties of 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one?
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).