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

C18H16N2O3S — CID 3126408

IUPAC2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1ccc(-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
InChIKeyJCTXGDLONGMRBV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.25
Rot. Bonds2

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

2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 3126408) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID3126408
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1ccc(-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
InChIKeyJCTXGDLONGMRBV-UHFFFAOYSA-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

(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 936576
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 7655270
2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 2905221
5-[(5-phenylfuran-2-yl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
CID 4613108
3-[4-[(5E)-4-oxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile
CID 7025052
(5Z)-5-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one
CID 2027541
(5Z)-2-morpholin-4-yl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 751908
(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 2278274
2-piperidin-1-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4006570
2-(4-methylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 1423604
2-(4-methylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 3750262
(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 6517590

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 3126408) is 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is JCTXGDLONGMRBV-UHFFFAOYSA-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.
What are the key properties of 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
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 2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 3126408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).