(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

C18H18N2O4S — CID 1396345

IUPAC(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCOCC1
InChIInChI=1S/C18H18N2O4S/c21-16(19-9-11-24-12-10-19)13-20-17(22)15(25-18(20)23)8-4-7-14-5-2-1-3-6-14/h1-8H,9-13H2/b7-4+,15-8-
InChIKeyQXIGOTZGDUFANA-GVEAZFNLSA-N
MW358.42 g/mol
LogP2.14
Rot. Bonds4

About (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1396345) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1396345
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCOCC1
InChIInChI=1S/C18H18N2O4S/c21-16(19-9-11-24-12-10-19)13-20-17(22)15(25-18(20)23)8-4-7-14-5-2-1-3-6-14/h1-8H,9-13H2/b7-4+,15-8-
InChIKeyQXIGOTZGDUFANA-GVEAZFNLSA-N
XLogP2.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 1396345) is (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCOCC1.
What is the InChIKey of (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QXIGOTZGDUFANA-GVEAZFNLSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-16(19-9-11-24-12-10-19)13-20-17(22)15(25-18(20)23)8-4-7-14-5-2-1-3-6-14/h1-8H,9-13H2/b7-4+,15-8-.
What are the key properties of (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 358.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1396345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).