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

C21H17N3OS — CID 6879010

IUPAC(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccccc1
InChIInChI=1S/C21H17N3OS/c25-20-15-26-21(24(20)14-16-7-2-1-3-8-16)23-22-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-13H,14-15H2/b22-13+,23-21+
InChIKeyMPGUDOVOIJVNCH-OSWVXBLQSA-N
MW359.45 g/mol
LogP4.31
Rot. Bonds4

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

(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6879010) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6879010
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccccc1
InChIInChI=1S/C21H17N3OS/c25-20-15-26-21(24(20)14-16-7-2-1-3-8-16)23-22-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-13H,14-15H2/b22-13+,23-21+
InChIKeyMPGUDOVOIJVNCH-OSWVXBLQSA-N
XLogP4.31
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.31
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 (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6879010) is (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MPGUDOVOIJVNCH-OSWVXBLQSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-20-15-26-21(24(20)14-16-7-2-1-3-8-16)23-22-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-13H,14-15H2/b22-13+,23-21+.
What are the key properties of (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6879010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).