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

C10H9NO3S — CID 4760530

IUPAC3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(=Cc2ccco2)C1=O
InChIInChI=1S/C10H9NO3S/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3
InChIKeyPKFTWQOZAYHSSM-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.34
Rot. Bonds2

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

3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 4760530) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID4760530
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(=Cc2ccco2)C1=O
InChIInChI=1S/C10H9NO3S/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3
InChIKeyPKFTWQOZAYHSSM-UHFFFAOYSA-N
XLogP2.34
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-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
(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124668192
(5E)-3-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1337964
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6182404
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743
5-benzylidene-3-[2-[2-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl-methylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 4897672
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126061434

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 4760530) is 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is CCN1C(=O)SC(=Cc2ccco2)C1=O.
What is the InChIKey of 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is PKFTWQOZAYHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-11-9(12)8(15-10(11)13)6-7-4-3-5-14-7/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 223.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4760530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).