(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

C15H8ClN3O2S — CID 60585789

IUPAC(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1c(Cl)nc2sccn12
InChIInChI=1S/C15H8ClN3O2S/c16-12-11(19-6-7-22-15(19)18-12)8-10-14(20)21-13(17-10)9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyWDQPDHYBUVVTQB-NTMALXAHSA-N
MW329.77 g/mol
LogP3.39
Rot. Bonds2

About (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 60585789) has the molecular formula C15H8ClN3O2S and a molecular weight of 329.77 g/mol. Its IUPAC name is (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID60585789
Molecular FormulaC15H8ClN3O2S
Molecular Weight329.77 g/mol
Exact Mass329.00
IUPAC Name(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1c(Cl)nc2sccn12
InChIInChI=1S/C15H8ClN3O2S/c16-12-11(19-6-7-22-15(19)18-12)8-10-14(20)21-13(17-10)9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyWDQPDHYBUVVTQB-NTMALXAHSA-N
XLogP3.39
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 60585789) is (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\c1c(Cl)nc2sccn12.
What is the InChIKey of (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is WDQPDHYBUVVTQB-NTMALXAHSA-N. The full InChI is InChI=1S/C15H8ClN3O2S/c16-12-11(19-6-7-22-15(19)18-12)8-10-14(20)21-13(17-10)9-4-2-1-3-5-9/h1-8H/b10-8-.
What are the key properties of (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 329.77 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 60585789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).