(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione

C16H12INO4S — CID 2716292

IUPAC(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H12INO4S/c17-14-7-6-12(22-14)10-13-15(19)18(16(20)23-13)8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2/b13-10-
InChIKeyOTDKGDPNWPCXTL-RAXLEYEMSA-N
MW441.25 g/mol
LogP4.00
Rot. Bonds5

About (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2716292) has the molecular formula C16H12INO4S and a molecular weight of 441.25 g/mol. Its IUPAC name is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
PubChem CID2716292
Molecular FormulaC16H12INO4S
Molecular Weight441.25 g/mol
Exact Mass440.95
IUPAC Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H12INO4S/c17-14-7-6-12(22-14)10-13-15(19)18(16(20)23-13)8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2/b13-10-
InChIKeyOTDKGDPNWPCXTL-RAXLEYEMSA-N
XLogP4.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(2-phenoxyethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2716248
5-[(5-bromofuran-2-yl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 1227893
(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126061434
(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
(5Z)-3-benzyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2262136
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126128982
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 2179354
5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
CID 71952088
methyl 2-[3-[(Z)-[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
CID 126142542
(5Z)-5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126059524

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione (CID 2716292) is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCOc1ccccc1.
What is the InChIKey of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OTDKGDPNWPCXTL-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H12INO4S/c17-14-7-6-12(22-14)10-13-15(19)18(16(20)23-13)8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2/b13-10-.
What are the key properties of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 441.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2716292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).