(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H14N2O4S2 — CID 1232218

IUPAC(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCOCC1
InChIInChI=1S/C14H14N2O4S2/c17-12(15-3-5-20-6-4-15)9-16-13(18)11(22-14(16)19)8-10-2-1-7-21-10/h1-2,7-8H,3-6,9H2/b11-8+
InChIKeyJYCUHTIWRSMTSO-DHZHZOJOSA-N
MW338.41 g/mol
LogP1.64
Rot. Bonds3

About (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1232218) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1232218
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCOCC1
InChIInChI=1S/C14H14N2O4S2/c17-12(15-3-5-20-6-4-15)9-16-13(18)11(22-14(16)19)8-10-2-1-7-21-10/h1-2,7-8H,3-6,9H2/b11-8+
InChIKeyJYCUHTIWRSMTSO-DHZHZOJOSA-N
XLogP1.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1232218) is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCOCC1.
What is the InChIKey of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is JYCUHTIWRSMTSO-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c17-12(15-3-5-20-6-4-15)9-16-13(18)11(22-14(16)19)8-10-2-1-7-21-10/h1-2,7-8H,3-6,9H2/b11-8+.
What are the key properties of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1232218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).