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

C16H13NO4S — CID 1284167

IUPAC3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)SC(=Cc3ccco3)C2=O)cc1
InChIInChI=1S/C16H13NO4S/c1-2-20-12-7-5-11(6-8-12)17-15(18)14(22-16(17)19)10-13-4-3-9-21-13/h3-10H,2H2,1H3
InChIKeyQWIDKSQZFWZIAY-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.92
Rot. Bonds4

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

3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1284167) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1284167
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)SC(=Cc3ccco3)C2=O)cc1
InChIInChI=1S/C16H13NO4S/c1-2-20-12-7-5-11(6-8-12)17-15(18)14(22-16(17)19)10-13-4-3-9-21-13/h3-10H,2H2,1H3
InChIKeyQWIDKSQZFWZIAY-UHFFFAOYSA-N
XLogP3.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.92
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)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-3-(4-ethoxyphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839726
3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2867317
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18839692
(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837217
(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 34056376
(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6513133
2-[3-[(E)-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27415629

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1284167) is 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)SC(=Cc3ccco3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is QWIDKSQZFWZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-2-20-12-7-5-11(6-8-12)17-15(18)14(22-16(17)19)10-13-4-3-9-21-13/h3-10H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 315.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1284167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).