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

C13H14N2O4S — CID 6182404

IUPAC(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccco2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C13H14N2O4S/c16-12-11(8-10-2-1-5-19-10)20-13(17)15(12)9-14-3-6-18-7-4-14/h1-2,5,8H,3-4,6-7,9H2/b11-8+
InChIKeyDVPLCRJPONHNJX-DHZHZOJOSA-N
MW294.33 g/mol
LogP1.61
Rot. Bonds3

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

(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 6182404) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID6182404
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccco2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C13H14N2O4S/c16-12-11(8-10-2-1-5-19-10)20-13(17)15(12)9-14-3-6-18-7-4-14/h1-2,5,8H,3-4,6-7,9H2/b11-8+
InChIKeyDVPLCRJPONHNJX-DHZHZOJOSA-N
XLogP1.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3851654
(5E)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 16648555
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
5-[(2-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 2844306
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1204596
(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
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6123244
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1368759
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 6182404) is (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccco2)C(=O)N1CN1CCOCC1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is DVPLCRJPONHNJX-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-12-11(8-10-2-1-5-19-10)20-13(17)15(12)9-14-3-6-18-7-4-14/h1-2,5,8H,3-4,6-7,9H2/b11-8+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 294.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6182404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).