5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C15H9ClN4OS2 — CID 136577248

IUPAC5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C15H9ClN4OS2/c16-12-10(20-6-7-22-15(20)18-12)8-11-13(21)19-14(23-11)17-9-4-2-1-3-5-9/h1-8H,(H,17,19,21)
InChIKeyOZPJHRURWVEPLK-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.94
Rot. Bonds2

About 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 136577248) has the molecular formula C15H9ClN4OS2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID136577248
Molecular FormulaC15H9ClN4OS2
Molecular Weight360.85 g/mol
Exact Mass359.99
IUPAC Name5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C15H9ClN4OS2/c16-12-10(20-6-7-22-15(20)18-12)8-11-13(21)19-14(23-11)17-9-4-2-1-3-5-9/h1-8H,(H,17,19,21)
InChIKeyOZPJHRURWVEPLK-UHFFFAOYSA-N
XLogP3.94
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135922334
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206
(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 60585789
2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
2-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135718421
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984
5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135479134
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
[4-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate
CID 135533204
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135512915
5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135543283

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 136577248) is 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)SC1=Cc1c(Cl)nc2sccn12.
What is the InChIKey of 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is OZPJHRURWVEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4OS2/c16-12-10(20-6-7-22-15(20)18-12)8-11-13(21)19-14(23-11)17-9-4-2-1-3-5-9/h1-8H,(H,17,19,21).
What are the key properties of 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 360.85 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136577248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).