(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide

C15H14N2O2S2 — CID 145316942

IUPAC(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
SMILESCCC1S/C(=N/S(=O)c2cccc3ccccc23)NC1=O
InChIInChI=1S/C15H14N2O2S2/c1-2-12-14(18)16-15(20-12)17-21(19)13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12H,2H2,1H3,(H,16,17,18)
InChIKeyZLIHNVKCYAYYKO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.86
Rot. Bonds3

About (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide

(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide (PubChem CID 145316942) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
PubChem CID145316942
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
SMILESCCC1S/C(=N/S(=O)c2cccc3ccccc23)NC1=O
InChIInChI=1S/C15H14N2O2S2/c1-2-12-14(18)16-15(20-12)17-21(19)13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12H,2H2,1H3,(H,16,17,18)
InChIKeyZLIHNVKCYAYYKO-UHFFFAOYSA-N
XLogP2.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.86
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

5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
(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
(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
CID 138544986
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136871961
2-[(5S)-2-(1-naphthalen-1-ylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 137195614
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135706945

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide?
The IUPAC name of (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide (CID 145316942) is (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide.
What is the SMILES notation for (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide?
The canonical SMILES for (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide is CCC1S/C(=N/S(=O)c2cccc3ccccc23)NC1=O.
What is the InChIKey of (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide?
The InChIKey is ZLIHNVKCYAYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-2-12-14(18)16-15(20-12)17-21(19)13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12H,2H2,1H3,(H,16,17,18).
What are the key properties of (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide?
(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide has a molecular weight of 318.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide is sourced from PubChem (CID 145316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).