(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C16H12FNO4S — CID 126061434

IUPAC(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccco2)C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12FNO4S/c17-11-3-5-12(6-4-11)22-9-7-18-15(19)14(23-16(18)20)10-13-2-1-8-21-13/h1-6,8,10H,7,9H2/b14-10-
InChIKeyXLGCIBKHRURODU-UVTDQMKNSA-N
MW333.34 g/mol
LogP3.53
Rot. Bonds5

About (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 126061434) has the molecular formula C16H12FNO4S and a molecular weight of 333.34 g/mol. Its IUPAC name is (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID126061434
Molecular FormulaC16H12FNO4S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccco2)C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12FNO4S/c17-11-3-5-12(6-4-11)22-9-7-18-15(19)14(23-16(18)20)10-13-2-1-8-21-13/h1-6,8,10H,7,9H2/b14-10-
InChIKeyXLGCIBKHRURODU-UVTDQMKNSA-N
XLogP3.53
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-[2-(4-bromophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 2331060
3-[2-(4-bromophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5215506
5-[(5-bromofuran-2-yl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 1227893
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
5-[(2,4-dimethoxyphenyl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 3588722
(5Z)-5-benzylidene-3-[2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 2331027
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632035
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126063349
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126062836
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126058314
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
CID 2716292

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 126061434) is (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccco2)C(=O)N1CCOc1ccc(F)cc1.
What is the InChIKey of (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is XLGCIBKHRURODU-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H12FNO4S/c17-11-3-5-12(6-4-11)22-9-7-18-15(19)14(23-16(18)20)10-13-2-1-8-21-13/h1-6,8,10H,7,9H2/b14-10-.
What are the key properties of (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 333.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126061434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).