3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H13FN2O2S2 — CID 126334949

IUPAC3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H13FN2O2S2/c18-14-7-3-1-6-13(14)10-22-15-8-4-2-5-12(15)9-19-20-16(21)11-24-17(20)23/h1-9H,10-11H2/b19-9+
InChIKeyBBEFTBDTMVHFJU-DJKKODMXSA-N
MW360.44 g/mol
LogP3.60
Rot. Bonds5

About 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126334949) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID126334949
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H13FN2O2S2/c18-14-7-3-1-6-13(14)10-22-15-8-4-2-5-12(15)9-19-20-16(21)11-24-17(20)23/h1-9H,10-11H2/b19-9+
InChIKeyBBEFTBDTMVHFJU-DJKKODMXSA-N
XLogP3.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-[2-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351183
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19589115
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
2-[2-methoxy-6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenoxy]acetic acid
CID 126356447
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
(5E)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5290400
3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4893215
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
2-sulfanylidene-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 23848886
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2912762

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126334949) is 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccccc1F.
What is the InChIKey of 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is BBEFTBDTMVHFJU-DJKKODMXSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c18-14-7-3-1-6-13(14)10-22-15-8-4-2-5-12(15)9-19-20-16(21)11-24-17(20)23/h1-9H,10-11H2/b19-9+.
What are the key properties of 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126334949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).