2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C15H11FN2O2S — CID 135522961

IUPAC2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=C2S/C(=N/c3ccccc3F)NC2=O)o1
InChIInChI=1S/C15H11FN2O2S/c1-9-6-7-10(20-9)8-13-14(19)18-15(21-13)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18,19)
InChIKeyLWHOYPSNMOHTTR-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.62
Rot. Bonds2

About 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135522961) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135522961
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=C2S/C(=N/c3ccccc3F)NC2=O)o1
InChIInChI=1S/C15H11FN2O2S/c1-9-6-7-10(20-9)8-13-14(19)18-15(21-13)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18,19)
InChIKeyLWHOYPSNMOHTTR-UHFFFAOYSA-N
XLogP3.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765879
(5Z)-2-(2-fluorophenyl)imino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137162488
(5E)-2-(3-chloro-4-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135766127
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135563085
(5E)-2-(2-hydroxy-5-methylphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135834294
(5E)-2-(2-fluorophenyl)imino-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 135781836
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
(5E)-2-(2-fluorophenyl)imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135563067
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124
(5E)-2-(2-fluorophenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529226
5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135523277
2-(2,3-dimethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135496486

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135522961) is 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(C=C2S/C(=N/c3ccccc3F)NC2=O)o1.
What is the InChIKey of 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LWHOYPSNMOHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-9-6-7-10(20-9)8-13-14(19)18-15(21-13)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135522961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).