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

C18H15ClN2O3S — CID 1129059

IUPAC(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O3S/c19-14-4-2-1-3-13(14)15-6-5-12(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b16-11+
InChIKeyIXFQLZPFUBKDAA-LFIBNONCSA-N
MW374.85 g/mol
LogP3.90
Rot. Bonds2

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

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1129059) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1129059
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O3S/c19-14-4-2-1-3-13(14)15-6-5-12(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2/b16-11+
InChIKeyIXFQLZPFUBKDAA-LFIBNONCSA-N
XLogP3.90
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.90
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
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
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778142
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one
CID 162656579
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
CID 162657973
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-4-yl)methylimino]-1,3-thiazolidin-4-one
CID 162663755
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
CID 162670948
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one
CID 162674184
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 137630233
5-{[5-(4-Chlorophenyl)-2-furyl]methylene}-2-imino-1,3-thiazolidin-4-one
CID 5767569

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1129059) is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is IXFQLZPFUBKDAA-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-14-4-2-1-3-13(14)15-6-5-12(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-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 374.85 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1129059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).