ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate

C20H25N3O5S — CID 4893261

IUPACethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(N4CCOCC4)o3)S2)CC1
InChIInChI=1S/C20H25N3O5S/c1-2-27-19(25)14-5-7-23(8-6-14)20-21-18(24)16(29-20)13-15-3-4-17(28-15)22-9-11-26-12-10-22/h3-4,13-14H,2,5-12H2,1H3
InChIKeyAXELTXBZXMJRHA-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.36
Rot. Bonds4

About ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate

ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate (PubChem CID 4893261) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
PubChem CID4893261
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Nameethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(N4CCOCC4)o3)S2)CC1
InChIInChI=1S/C20H25N3O5S/c1-2-27-19(25)14-5-7-23(8-6-14)20-21-18(24)16(29-20)13-15-3-4-17(28-15)22-9-11-26-12-10-22/h3-4,13-14H,2,5-12H2,1H3
InChIKeyAXELTXBZXMJRHA-UHFFFAOYSA-N
XLogP2.36
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 5350981
ethyl 1-[(5Z)-5-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 2031948
ethyl 1-[(5Z)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 19260617
ethyl 1-[5-[[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 4700606
(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 21234651
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408
1-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 1332553
ethyl 1-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-3-carboxylate
CID 5293468
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071
(5E)-3-[(2R)-butan-2-yl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5455496
ethyl 1-[5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 4699756
1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 91945310

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate (CID 4893261) is ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(N4CCOCC4)o3)S2)CC1.
What is the InChIKey of ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The InChIKey is AXELTXBZXMJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-2-27-19(25)14-5-7-23(8-6-14)20-21-18(24)16(29-20)13-15-3-4-17(28-15)22-9-11-26-12-10-22/h3-4,13-14H,2,5-12H2,1H3.
What are the key properties of ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate?
ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 4893261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).