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

C18H23N3OS — CID 118713907

IUPAC(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/b19-14-,20-18+
InChIKeyIXNGKNOCXTYKMT-COVIGOSBSA-N
MW329.47 g/mol
LogP4.07
Rot. Bonds4

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

(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713907) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713907
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/b19-14-,20-18+
InChIKeyIXNGKNOCXTYKMT-COVIGOSBSA-N
XLogP4.07
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.07
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-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 118713907) is (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)C1CCCCC1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IXNGKNOCXTYKMT-COVIGOSBSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14(16-10-6-3-7-11-16)19-20-18-21(17(22)13-23-18)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/b19-14-,20-18+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 329.47 g/mol, XLogP of 4.07, 4 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)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).