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

C18H15FN2O3S — CID 1129056

IUPAC(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN2O3S/c19-13-3-1-12(2-4-13)15-6-5-14(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b16-11+
InChIKeyTWSHEHPASLJVLH-LFIBNONCSA-N
MW358.39 g/mol
LogP3.39
Rot. Bonds2

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

(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1129056) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1129056
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN2O3S/c19-13-3-1-12(2-4-13)15-6-5-14(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b16-11+
InChIKeyTWSHEHPASLJVLH-LFIBNONCSA-N
XLogP3.39
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-2-morpholino-5-((5-(o-tolyl)furan-2-yl)methylene)thiazol-4(5H)-one
CID 1115801
Thiazolidin-4-one, 3-ethyl-2-ethylimino-5-[5-(4-fluorophenyl)furan-2-ylmethylene]-
CID 5292876
2-Morpholin-4-yl-5-(5-p-tolyl-furan-2-ylmethylene)-thiazol-4-one
CID 1115796
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129060
(E)-5-((5-(2-chlorophenyl)furan-2-yl)methylene)-2-morpholinothiazol-4(5H)-one
CID 1129059
N-[(2Z,5E)-5-{[5-(2-fluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]propanamide
CID 5292308
(E)-3-(4-(4-oxo-5-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 6525819
US10092551, Example 35
CID 121335387
(5Z)-2-imino-5-({5-[4-(morpholine-4-sulfonyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one
CID 23647655
(Z)-3-(5-(4-fluorophenyl)furan-2-yl)-2-(morpholine-4-carbonyl)acrylonitrile
CID 726288
2-(4-Acetylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4619613
N-[(2E,5E)-5-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 5456861

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1129056) is (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is TWSHEHPASLJVLH-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c19-13-3-1-12(2-4-13)15-6-5-14(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b16-11+.
What are the key properties of (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1129056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).