2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one

C22H17N3OS — CID 135543572

IUPAC2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)27-21(24-20)25-23-16-17-10-4-1-5-11-17/h1-16H,(H,24,25,26)
InChIKeyGQZWIZWRCBWZIN-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.18
Rot. Bonds4

About 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one

2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 135543572) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID135543572
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2)SC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)27-21(24-20)25-23-16-17-10-4-1-5-11-17/h1-16H,(H,24,25,26)
InChIKeyGQZWIZWRCBWZIN-UHFFFAOYSA-N
XLogP4.18
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.18
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

2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-5-phenyl-1,3-thiazol-4(5H)-one
CID 135650471
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
(2E)-5-benzyl-2-[(Z)-benzylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5829830
Benzaldehyde (4-oxo-5,5-diphenyl-1,3-thiazolidin-2-ylidene)hydrazone
CID 135478440
2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 172921197
(2E)-2-[(2E)-(2-fluorobenzylidene)hydrazinylidene]-5-(2-methylbenzyl)-1,3-thiazolidin-4-one
CID 135438807
(2E)-2-[(2E)-benzylidenehydrazinylidene]-5-(4-fluorobenzyl)-1,3-thiazolidin-4-one
CID 135473242
(2Z)-2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136096060
(2E)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135487294
5-Benzyl-2-[(2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135402324
2-[(4-Fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
2-[(2-Fluorophenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135447171

Frequently Asked Questions

What is the IUPAC name of 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one (CID 135543572) is 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccccc2)SC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is GQZWIZWRCBWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)27-21(24-20)25-23-16-17-10-4-1-5-11-17/h1-16H,(H,24,25,26).
What are the key properties of 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one?
2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 371.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylidenehydrazinylidene)-5,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135543572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).