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

C14H8FNO2S2 — CID 4665185

IUPAC5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)C(=Cc2ccc(-c3ccccc3F)o2)S1
InChIInChI=1S/C14H8FNO2S2/c15-10-4-2-1-3-9(10)11-6-5-8(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)
InChIKeyOLPGXMSVWWIMSW-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.21
Rot. Bonds2

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

5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 4665185) has the molecular formula C14H8FNO2S2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID4665185
Molecular FormulaC14H8FNO2S2
Molecular Weight305.36 g/mol
Exact Mass305.00
IUPAC Name5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)C(=Cc2ccc(-c3ccccc3F)o2)S1
InChIInChI=1S/C14H8FNO2S2/c15-10-4-2-1-3-9(10)11-6-5-8(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)
InChIKeyOLPGXMSVWWIMSW-UHFFFAOYSA-N
XLogP4.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2019480
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2886693
(2S)-2-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 8932891
4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196566
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
6-[(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 23474875
3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
CID 77040477
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302
3-(1,1-dioxothiolan-3-yl)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75809818
(5E)-5-[[5-[3-[(E)-1,1-difluorobut-2-enyl]phenyl]furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 162579593
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
4-(4-fluorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135413266

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 4665185) is 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1NC(=S)C(=Cc2ccc(-c3ccccc3F)o2)S1.
What is the InChIKey of 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is OLPGXMSVWWIMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S2/c15-10-4-2-1-3-9(10)11-6-5-8(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19).
What are the key properties of 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 305.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 4665185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).