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

C13H14N2O3S — CID 704640

IUPAC(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyBQKWLLZKFQCERR-FLIBITNWSA-N
MW278.33 g/mol
LogP1.89
Rot. Bonds1

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

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 704640) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID704640
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyBQKWLLZKFQCERR-FLIBITNWSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.89
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-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 704640) is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1.
What is the InChIKey of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is BQKWLLZKFQCERR-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-.
What are the key properties of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 278.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 704640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).