(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C13H13N3OS — CID 135601079

IUPAC(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCc3ccccc32)N1
InChIInChI=1S/C13H13N3OS/c17-12-8-18-13(14-12)16-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6H,3,5,7-8H2,(H,14,16,17)
InChIKeyOCPUHAUPNYETAY-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.95
Rot. Bonds1

About (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135601079) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135601079
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCc3ccccc32)N1
InChIInChI=1S/C13H13N3OS/c17-12-8-18-13(14-12)16-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6H,3,5,7-8H2,(H,14,16,17)
InChIKeyOCPUHAUPNYETAY-UHFFFAOYSA-N
XLogP1.95
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.95
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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Related Compounds

(Z)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3,4-dihydro-2H-naphthalen-1-imine
CID 6156898
(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135878056
(2E)-2-[(E)-(2,3-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinylidene]-1,3-thiazinan-4-one
CID 146028411
2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135998691
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
CID 78597360
(2Z)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958947
2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 172919886
2-[2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-octylacetamide
CID 136914396
2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135572131
2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135422560
2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576530
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135601079) is (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2CCCc3ccccc32)N1.
What is the InChIKey of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is OCPUHAUPNYETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-12-8-18-13(14-12)16-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6H,3,5,7-8H2,(H,14,16,17).
What are the key properties of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135601079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).