3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one

C21H14N4OS2 — CID 132560313

IUPAC3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=N/c2ccc(/N=N/c3ccccc3)cc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C21H14N4OS2/c26-20-19(28-21(27)25(20)18-9-5-2-6-10-18)22-15-11-13-17(14-12-15)24-23-16-7-3-1-4-8-16/h1-14H/b22-19-,24-23+
InChIKeyMPYVKJBXFANZLJ-BILNYTLASA-N
MW402.50 g/mol
LogP6.20
Rot. Bonds4

About 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one

3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 132560313) has the molecular formula C21H14N4OS2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID132560313
Molecular FormulaC21H14N4OS2
Molecular Weight402.50 g/mol
Exact Mass402.06
IUPAC Name3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=N/c2ccc(/N=N/c3ccccc3)cc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C21H14N4OS2/c26-20-19(28-21(27)25(20)18-9-5-2-6-10-18)22-15-11-13-17(14-12-15)24-23-16-7-3-1-4-8-16/h1-14H/b22-19-,24-23+
InChIKeyMPYVKJBXFANZLJ-BILNYTLASA-N
XLogP6.20
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5374480
(2E)-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetic acid
CID 34552324
5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 173393272
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2732120
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
5-(1-ethoxypropylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86733634
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5472509
1-N,3-N,2-triphenylisoindole-1,3-diimine
CID 10785572
1-phenyl-3-phenyliminopyrrolidine-2,5-dione
CID 57166178
5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1362660
(3E)-3-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyrrolidine-2,5-dione
CID 132560312

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one (CID 132560313) is 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=N/c2ccc(/N=N/c3ccccc3)cc2)SC(=S)N1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MPYVKJBXFANZLJ-BILNYTLASA-N. The full InChI is InChI=1S/C21H14N4OS2/c26-20-19(28-21(27)25(20)18-9-5-2-6-10-18)22-15-11-13-17(14-12-15)24-23-16-7-3-1-4-8-16/h1-14H/b22-19-,24-23+.
What are the key properties of 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one?
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 402.50 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 132560313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).