(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one

C18H16N2O3S — CID 775541

IUPAC(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3S/c21-17-16(24-18(19-17)20-8-10-22-11-9-20)12-14-6-7-15(23-14)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b16-12-
InChIKeyJCTXGDLONGMRBV-VBKFSLOCSA-N
MW340.40 g/mol
LogP3.25
Rot. Bonds2

About (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one

(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 775541) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID775541
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3S/c21-17-16(24-18(19-17)20-8-10-22-11-9-20)12-14-6-7-15(23-14)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b16-12-
InChIKeyJCTXGDLONGMRBV-VBKFSLOCSA-N
XLogP3.25
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.25
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
(5E)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 5292876
2-Morpholin-4-yl-5-(5-p-tolyl-furan-2-ylmethylene)-thiazol-4-one
CID 1115796
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129056
(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
2-hydroxy-4-[5-[(Z)-(2-morpholino-4-oxo-thiazol-5-ylidene)methyl]-2-furyl]benzoic acid
CID 129909745
(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
2-(4-Acetylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4619613
N-[(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5952784

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 775541) is (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2)o1.
What is the InChIKey of (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is JCTXGDLONGMRBV-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17-16(24-18(19-17)20-8-10-22-11-9-20)12-14-6-7-15(23-14)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b16-12-.
What are the key properties of (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 775541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).