(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C25H19N3OS — CID 6883019

IUPAC(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1cccc2ccccc12
InChIInChI=1S/C25H19N3OS/c29-24-17-30-25(27-26-15-20-11-5-9-18-7-1-3-13-22(18)20)28(24)16-21-12-6-10-19-8-2-4-14-23(19)21/h1-15H,16-17H2/b26-15+,27-25-
InChIKeyKPZVITNIDHLFHL-ICIUVLAYSA-N
MW409.51 g/mol
LogP5.46
Rot. Bonds4

About (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6883019) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6883019
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1cccc2ccccc12
InChIInChI=1S/C25H19N3OS/c29-24-17-30-25(27-26-15-20-11-5-9-18-7-1-3-13-22(18)20)28(24)16-21-12-6-10-19-8-2-4-14-23(19)21/h1-15H,16-17H2/b26-15+,27-25-
InChIKeyKPZVITNIDHLFHL-ICIUVLAYSA-N
XLogP5.46
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
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 (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6883019) is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1cccc2ccccc12.
What is the InChIKey of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KPZVITNIDHLFHL-ICIUVLAYSA-N. The full InChI is InChI=1S/C25H19N3OS/c29-24-17-30-25(27-26-15-20-11-5-9-18-7-1-3-13-22(18)20)28(24)16-21-12-6-10-19-8-2-4-14-23(19)21/h1-15H,16-17H2/b26-15+,27-25-.
What are the key properties of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 409.51 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6883019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).