(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H17N3OS — CID 135472832

IUPAC(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13(15-10-6-3-7-11-15)20-21-18-19-17(22)16(23-18)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,19,21,22)/b20-13+
InChIKeyNIQJHKBVUUABBF-DEDYPNTBSA-N
MW323.42 g/mol
LogP3.24
Rot. Bonds4

About (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135472832) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135472832
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13(15-10-6-3-7-11-15)20-21-18-19-17(22)16(23-18)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,19,21,22)/b20-13+
InChIKeyNIQJHKBVUUABBF-DEDYPNTBSA-N
XLogP3.24
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.24
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
6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
CID 135420625
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
3-[(2-methylbenzyl)thio]-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135471690
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
5-Benzyl-2-imino-1,3-thiazolan-4-one
CID 137629431
5-Benzyl-1,3-thiazolidine-2,4-dione 2-[(1-methylethylidene)hydrazone]
CID 135817227
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640
5-[3-(Trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[1-(4-methylphenyl)ethylidene]hydrazone}
CID 135473246
(2E)-2-{(2E)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidin-4-one
CID 135645320
(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 155544540
(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509610

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135472832) is (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)c1ccccc1.
What is the InChIKey of (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NIQJHKBVUUABBF-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13(15-10-6-3-7-11-15)20-21-18-19-17(22)16(23-18)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,19,21,22)/b20-13+.
What are the key properties of (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-benzyl-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135472832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).