(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C18H23N3O2S — CID 691560

IUPAC(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-20(4-2)15-7-5-14(6-8-15)13-16-17(22)19-18(24-16)21-9-11-23-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+
InChIKeyFNMQTOPJOIFGTJ-DTQAZKPQSA-N
MW345.47 g/mol
LogP2.84
Rot. Bonds4

About (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 691560) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID691560
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-20(4-2)15-7-5-14(6-8-15)13-16-17(22)19-18(24-16)21-9-11-23-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+
InChIKeyFNMQTOPJOIFGTJ-DTQAZKPQSA-N
XLogP2.84
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 691560) is (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is CCN(CC)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is FNMQTOPJOIFGTJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-20(4-2)15-7-5-14(6-8-15)13-16-17(22)19-18(24-16)21-9-11-23-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+.
What are the key properties of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 345.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 691560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).