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

C15H19N3OS — CID 118714705

IUPAC(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC/C(C)=N\N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-7-12(2)16-17-15-18(14(19)11-20-15)10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3/b16-12-,17-15+
InChIKeyINUCZECXGYHMEI-CMUNOCGMSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds5

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

(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118714705) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118714705
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC/C(C)=N\N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-7-12(2)16-17-15-18(14(19)11-20-15)10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3/b16-12-,17-15+
InChIKeyINUCZECXGYHMEI-CMUNOCGMSA-N
XLogP3.29
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
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-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
N-benzyl-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)thio]acetamide
CID 135402510
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 135447156
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 118714705) is (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC/C(C)=N\N=C1\SCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is INUCZECXGYHMEI-CMUNOCGMSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-7-12(2)16-17-15-18(14(19)11-20-15)10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3/b16-12-,17-15+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 3.29, 5 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)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118714705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).