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

C21H14FNO2S3 — CID 46257356

IUPAC(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1F
InChIInChI=1S/C21H14FNO2S3/c22-16-8-4-5-9-17(16)23-20(24)18(28-21(23)26)12-15-10-11-19(25-15)27-13-14-6-2-1-3-7-14/h1-12H,13H2/b18-12-
InChIKeyAWECGBVDKWMORE-PDGQHHTCSA-N
MW427.55 g/mol
LogP6.12
Rot. Bonds5

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

(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 46257356) has the molecular formula C21H14FNO2S3 and a molecular weight of 427.55 g/mol. Its IUPAC name is (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID46257356
Molecular FormulaC21H14FNO2S3
Molecular Weight427.55 g/mol
Exact Mass427.02
IUPAC Name(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1F
InChIInChI=1S/C21H14FNO2S3/c22-16-8-4-5-9-17(16)23-20(24)18(28-21(23)26)12-15-10-11-19(25-15)27-13-14-6-2-1-3-7-14/h1-12H,13H2/b18-12-
InChIKeyAWECGBVDKWMORE-PDGQHHTCSA-N
XLogP6.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-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

(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46257354
(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-methoxy-5-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46257382
3-(2-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3887838
(5Z)-5-[[5-[(4-chlorophenyl)methylsulfanyl]furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 46257312
(5Z)-5-[[5-[(4-chlorophenyl)methylsulfanyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46257305
(5E)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297277
3-(2-fluorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1327356
4-[(E)-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2582816
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225
3-(2-fluorophenyl)-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3990116
5-cinnamylidene-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1329065
(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50874194

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 46257356) is (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1F.
What is the InChIKey of (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is AWECGBVDKWMORE-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H14FNO2S3/c22-16-8-4-5-9-17(16)23-20(24)18(28-21(23)26)12-15-10-11-19(25-15)27-13-14-6-2-1-3-7-14/h1-12H,13H2/b18-12-.
What are the key properties of (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 427.55 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-benzylsulfanylfuran-2-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 46257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).