(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione

C15H11NO4S — CID 18837217

IUPAC(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C/c2ccco2)C1=O
InChIInChI=1S/C15H11NO4S/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9+
InChIKeyYUMJWTBWTXMRDP-UKTHLTGXSA-N
MW301.32 g/mol
LogP3.53
Rot. Bonds3

About (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione

(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837217) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837217
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C/c2ccco2)C1=O
InChIInChI=1S/C15H11NO4S/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9+
InChIKeyYUMJWTBWTXMRDP-UKTHLTGXSA-N
XLogP3.53
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
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

3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1318682
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837183
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5Z)-5-[(3-fluorophenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837226
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126059008
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837208
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126063407
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126065747
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837217) is (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1ccccc1N1C(=O)S/C(=C/c2ccco2)C1=O.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is YUMJWTBWTXMRDP-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 301.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).