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

C19H18N2O4S — CID 1129053

IUPAC(5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-23-14-4-2-13(3-5-14)16-7-6-15(25-16)12-17-18(22)20-19(26-17)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyBEWNOFBVHCIYOH-SFQUDFHCSA-N
MW370.43 g/mol
LogP3.26
Rot. Bonds3

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

(5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1129053) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1129053
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-23-14-4-2-13(3-5-14)16-7-6-15(25-16)12-17-18(22)20-19(26-17)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyBEWNOFBVHCIYOH-SFQUDFHCSA-N
XLogP3.26
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1129053) is (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is COc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1.
What is the InChIKey of (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is BEWNOFBVHCIYOH-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-14-4-2-13(3-5-14)16-7-6-15(25-16)12-17-18(22)20-19(26-17)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+.
What are the key properties of (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 370.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1129053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).