(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C15H7F3INO2S2 — CID 2262720

IUPAC(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
InChIKeyXPCCVJDPJDATRG-XFFZJAGNSA-N
MW481.26 g/mol
LogP5.31
Rot. Bonds2

About (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 2262720) has the molecular formula C15H7F3INO2S2 and a molecular weight of 481.26 g/mol. Its IUPAC name is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID2262720
Molecular FormulaC15H7F3INO2S2
Molecular Weight481.26 g/mol
Exact Mass480.89
IUPAC Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
InChIKeyXPCCVJDPJDATRG-XFFZJAGNSA-N
XLogP5.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.26
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 2262720) is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is XPCCVJDPJDATRG-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-.
What are the key properties of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 481.26 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2262720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).