(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C14H15N3OS — CID 135878056

IUPAC(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1SC(=N/N=C2\CCCc3ccccc32)NC1=O
InChIInChI=1S/C14H15N3OS/c1-9-13(18)15-14(19-9)17-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,17,18)/b16-12+/t9-/m0/s1
InChIKeyPBEDOXDQQWBUFD-WWKXRVGISA-N
MW273.36 g/mol
LogP2.33
Rot. Bonds1

About (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135878056) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135878056
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1SC(=N/N=C2\CCCc3ccccc32)NC1=O
InChIInChI=1S/C14H15N3OS/c1-9-13(18)15-14(19-9)17-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,17,18)/b16-12+/t9-/m0/s1
InChIKeyPBEDOXDQQWBUFD-WWKXRVGISA-N
XLogP2.33
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.33
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
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135601079
2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135998691
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-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 172919886
N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834241
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
CID 78597360

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135878056) is (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is C[C@@H]1SC(=N/N=C2\CCCc3ccccc32)NC1=O.
What is the InChIKey of (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is PBEDOXDQQWBUFD-WWKXRVGISA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-13(18)15-14(19-9)17-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,17,18)/b16-12+/t9-/m0/s1.
What are the key properties of (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135878056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).