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

C19H18N2O3S — CID 1115801

IUPAC(5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccccc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C19H18N2O3S/c1-13-4-2-3-5-15(13)16-7-6-14(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyMJLFYBQTUSOOMC-SFQUDFHCSA-N
MW354.43 g/mol
LogP3.56
Rot. Bonds2

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

(5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1115801) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1115801
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccccc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C19H18N2O3S/c1-13-4-2-3-5-15(13)16-7-6-14(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+
InChIKeyMJLFYBQTUSOOMC-SFQUDFHCSA-N
XLogP3.56
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.56
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 (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1115801) is (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1ccccc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1.
What is the InChIKey of (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is MJLFYBQTUSOOMC-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-4-2-3-5-15(13)16-7-6-14(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12+.
What are the key properties of (5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[[5-(2-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.56, 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-methylphenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1115801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).