(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H17N3OS — CID 118713910

IUPAC(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/b19-14-,20-18+
InChIKeyCWFZBPPOELFHNU-COVIGOSBSA-N
MW323.42 g/mol
LogP3.54
Rot. Bonds4

About (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713910) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713910
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/b19-14-,20-18+
InChIKeyCWFZBPPOELFHNU-COVIGOSBSA-N
XLogP3.54
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.54
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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Related Compounds

N-benzyl-N-methyl-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135415412
2-[5-(4-Methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57399196
2-[3,5-Bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57390436
2-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 57396639
2-[3-(4-Methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57401881
(2E)-3-benzyl-2-(cyclopentylidenehydrazono)thiazolidin-4-one
CID 118713897
(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713898
(2E)-3-benzyl-2-[(Z)-(3-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713899
(2E)-3-benzyl-2-(cyclohexylidenehydrazono)thiazolidin-4-one
CID 118713900
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713902
(2E)-3-benzyl-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713903

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 118713910) is (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CWFZBPPOELFHNU-COVIGOSBSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/b19-14-,20-18+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.54, 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-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).