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

C14H7FINO2S2 — CID 3957482

IUPAC3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccc(I)o2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C14H7FINO2S2/c15-8-2-1-3-9(6-8)17-13(18)11(21-14(17)20)7-10-4-5-12(16)19-10/h1-7H
InChIKeyJBPMGHWANSIARB-UHFFFAOYSA-N
MW431.25 g/mol
LogP4.43
Rot. Bonds2

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

3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3957482) has the molecular formula C14H7FINO2S2 and a molecular weight of 431.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3957482
Molecular FormulaC14H7FINO2S2
Molecular Weight431.25 g/mol
Exact Mass430.89
IUPAC Name3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccc(I)o2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C14H7FINO2S2/c15-8-2-1-3-9(6-8)17-13(18)11(21-14(17)20)7-10-4-5-12(16)19-10/h1-7H
InChIKeyJBPMGHWANSIARB-UHFFFAOYSA-N
XLogP4.43
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.43
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'}

Analyze 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2921268
3-(3-fluorophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3117421
(5E)-3-(3-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6289358
(5E)-3-(3-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2257975
(5E)-3-(3-fluorophenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872302
(5Z)-5-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126335577
(5E)-3-(3-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6092372
(5Z)-3-(3-fluorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126346461
5-[(3-fluorophenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1419748
(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126346377
3-(3-fluorophenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4273365
5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1362660

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3957482) is 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2ccc(I)o2)SC(=S)N1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JBPMGHWANSIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FINO2S2/c15-8-2-1-3-9(6-8)17-13(18)11(21-14(17)20)7-10-4-5-12(16)19-10/h1-7H.
What are the key properties of 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 431.25 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3957482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).