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

C18H15ClN2O3S — CID 1129060

IUPAC(5Z)-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-WJDWOHSUSA-N
MW374.85 g/mol
LogP3.90
Rot. Bonds2

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

(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1129060) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1129060
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name(5Z)-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-WJDWOHSUSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1129060) is (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-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 (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is IXFQLZPFUBKDAA-WJDWOHSUSA-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 (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-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 (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1129060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).