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

C17H21N3OS — CID 118713905

IUPAC(2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCCC2)N1Cc1ccccc1
InChIInChI=1S/C17H21N3OS/c21-16-13-22-17(19-18-15-10-6-1-2-7-11-15)20(16)12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2/b19-17+
InChIKeyXYAYPMIHDALJCO-HTXNQAPBSA-N
MW315.44 g/mol
LogP3.83
Rot. Bonds3

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

(2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118713905) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118713905
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCCC2)N1Cc1ccccc1
InChIInChI=1S/C17H21N3OS/c21-16-13-22-17(19-18-15-10-6-1-2-7-11-15)20(16)12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2/b19-17+
InChIKeyXYAYPMIHDALJCO-HTXNQAPBSA-N
XLogP3.83
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118713905) is (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2CCCCCC2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is XYAYPMIHDALJCO-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-16-13-22-17(19-18-15-10-6-1-2-7-11-15)20(16)12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2/b19-17+.
What are the key properties of (2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 315.44 g/mol, XLogP of 3.83, 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-(cycloheptylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).