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

C12H9FN2OS — CID 4515695

IUPAC2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2ccccc2F)sc2n1CCN=2
InChIInChI=1S/C12H9FN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2
InChIKeyJWFXTSCZRCNDKE-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.51
Rot. Bonds1

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

2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 4515695) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID4515695
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2ccccc2F)sc2n1CCN=2
InChIInChI=1S/C12H9FN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2
InChIKeyJWFXTSCZRCNDKE-UHFFFAOYSA-N
XLogP0.51
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 4515695) is 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is O=c1c(=Cc2ccccc2F)sc2n1CCN=2.
What is the InChIKey of 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is JWFXTSCZRCNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2.
What are the key properties of 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 248.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 4515695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).