(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H17N3OS — CID 118713897

IUPAC(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCC2)N1Cc1ccccc1
InChIInChI=1S/C15H17N3OS/c19-14-11-20-15(17-16-13-8-4-5-9-13)18(14)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/b17-15+
InChIKeyKZUSNGWFAMDGEK-BMRADRMJSA-N
MW287.39 g/mol
LogP3.05
Rot. Bonds3

About (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118713897) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118713897
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCC2)N1Cc1ccccc1
InChIInChI=1S/C15H17N3OS/c19-14-11-20-15(17-16-13-8-4-5-9-13)18(14)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/b17-15+
InChIKeyKZUSNGWFAMDGEK-BMRADRMJSA-N
XLogP3.05
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.05
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
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
(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
(2E)-3-benzyl-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713904
(2E)-3-benzyl-2-(cycloheptylidenehydrazono)thiazolidin-4-one
CID 118713905
(2E)-3-benzyl-2-(cyclooctylidenehydrazono)thiazolidin-4-one
CID 118713906
(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713907

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118713897) is (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2CCCC2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is KZUSNGWFAMDGEK-BMRADRMJSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14-11-20-15(17-16-13-8-4-5-9-13)18(14)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/b17-15+.
What are the key properties of (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 287.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).