(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C13H12N2O2S — CID 6449136

IUPAC(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCOc1ccc(/C=C2/N=C3SCCN3C2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)15-6-7-18-13(15)14-11/h2-5,8H,6-7H2,1H3/b11-8+
InChIKeyXPQNOBPUGLXDHX-DHZHZOJOSA-N
MW260.32 g/mol
LogP1.98
Rot. Bonds2

About (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449136) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449136
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCOc1ccc(/C=C2/N=C3SCCN3C2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)15-6-7-18-13(15)14-11/h2-5,8H,6-7H2,1H3/b11-8+
InChIKeyXPQNOBPUGLXDHX-DHZHZOJOSA-N
XLogP1.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449136) is (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is COc1ccc(/C=C2/N=C3SCCN3C2=O)cc1.
What is the InChIKey of (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is XPQNOBPUGLXDHX-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)15-6-7-18-13(15)14-11/h2-5,8H,6-7H2,1H3/b11-8+.
What are the key properties of (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 260.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).