(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H10FNO2S2 — CID 24582687

IUPAC(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H10FNO2S2/c19-12-5-7-13(8-6-12)20-17(21)16(24-18(20)23)10-14-9-11-3-1-2-4-15(11)22-14/h1-10H/b16-10+
InChIKeyKHLFUSZRQSSCOD-MHWRWJLKSA-N
MW355.42 g/mol
LogP4.98
Rot. Bonds2

About (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 24582687) has the molecular formula C18H10FNO2S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID24582687
Molecular FormulaC18H10FNO2S2
Molecular Weight355.42 g/mol
Exact Mass355.01
IUPAC Name(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H10FNO2S2/c19-12-5-7-13(8-6-12)20-17(21)16(24-18(20)23)10-14-9-11-3-1-2-4-15(11)22-14/h1-10H/b16-10+
InChIKeyKHLFUSZRQSSCOD-MHWRWJLKSA-N
XLogP4.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-[(5E)-5-(1-benzofuran-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 24582719
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6048376
3-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2922254
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2923362
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3122920
(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27130699
(5E)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352409
(5E)-5-(anthracen-9-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2132770
3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3957482
2-[[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3274581
5-[(3-fluorophenyl)methylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1386768

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 24582687) is (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1c1ccc(F)cc1.
What is the InChIKey of (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KHLFUSZRQSSCOD-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H10FNO2S2/c19-12-5-7-13(8-6-12)20-17(21)16(24-18(20)23)10-14-9-11-3-1-2-4-15(11)22-14/h1-10H/b16-10+.
What are the key properties of (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-benzofuran-2-ylmethylidene)-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 24582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).