3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one

C17H16N4OS — CID 4557403

IUPAC3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H16N4OS/c1-2-21-16(22)12-23-17(21)18-13-8-10-15(11-9-13)20-19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17-,20-19+
InChIKeyUNGMYZHIKAVHFX-SCMBIPALSA-N
MW324.41 g/mol
LogP4.68
Rot. Bonds4

About 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one

3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 4557403) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID4557403
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H16N4OS/c1-2-21-16(22)12-23-17(21)18-13-8-10-15(11-9-13)20-19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17-,20-19+
InChIKeyUNGMYZHIKAVHFX-SCMBIPALSA-N
XLogP4.68
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one (CID 4557403) is 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N\c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is UNGMYZHIKAVHFX-SCMBIPALSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-2-21-16(22)12-23-17(21)18-13-8-10-15(11-9-13)20-19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17-,20-19+.
What are the key properties of 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one?
3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-phenyldiazenylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4557403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).