(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H15N3OS — CID 136728737

IUPAC(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)[C@@H](C)S1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3OS/c1-10(18-19-16-17-15(20)11(2)21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,1-2H3,(H,17,19,20)/b18-10+/t11-/m1/s1
InChIKeyJDMOYGTZEKSUOC-VDCVXVNISA-N
MW297.38 g/mol
LogP3.17
Rot. Bonds2

About (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136728737) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136728737
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)[C@@H](C)S1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3OS/c1-10(18-19-16-17-15(20)11(2)21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,1-2H3,(H,17,19,20)/b18-10+/t11-/m1/s1
InChIKeyJDMOYGTZEKSUOC-VDCVXVNISA-N
XLogP3.17
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136728737) is (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)[C@@H](C)S1)c1ccc2ccccc2c1.
What is the InChIKey of (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JDMOYGTZEKSUOC-VDCVXVNISA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(18-19-16-17-15(20)11(2)21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,1-2H3,(H,17,19,20)/b18-10+/t11-/m1/s1.
What are the key properties of (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136728737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).