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

C23H25N3O3S — CID 24958764

IUPAC(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCc1ccc(CCOc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)nc1
InChIInChI=1S/C23H25N3O3S/c1-2-17-3-6-19(24-16-17)9-12-29-20-7-4-18(5-8-20)15-21-22(27)25-23(30-21)26-10-13-28-14-11-26/h3-8,15-16H,2,9-14H2,1H3/b21-15+
InChIKeyNEBZBXVKPZMFNG-RCCKNPSSSA-N
MW423.54 g/mol
LogP3.57
Rot. Bonds6

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

(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 24958764) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID24958764
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCCc1ccc(CCOc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)nc1
InChIInChI=1S/C23H25N3O3S/c1-2-17-3-6-19(24-16-17)9-12-29-20-7-4-18(5-8-20)15-21-22(27)25-23(30-21)26-10-13-28-14-11-26/h3-8,15-16H,2,9-14H2,1H3/b21-15+
InChIKeyNEBZBXVKPZMFNG-RCCKNPSSSA-N
XLogP3.57
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 14211277
(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydron;chloride
CID 87789988
(5E)-5-[(4-heptoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 17045284
(5Z)-2-(azepan-1-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 780915
5-[(4-butoxyphenyl)methylidene]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 2905176
5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6614726
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 707896
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 71962423
(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498167
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 693883
[4-[(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-bromobenzoate
CID 2904773

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 24958764) is (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is CCc1ccc(CCOc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)nc1.
What is the InChIKey of (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is NEBZBXVKPZMFNG-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-2-17-3-6-19(24-16-17)9-12-29-20-7-4-18(5-8-20)15-21-22(27)25-23(30-21)26-10-13-28-14-11-26/h3-8,15-16H,2,9-14H2,1H3/b21-15+.
What are the key properties of (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 423.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 24958764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).