(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

C15H18N2O3S — CID 6016896

IUPAC(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)o1
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-12(20-9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6-
InChIKeyBQRHESFDZVFBFJ-MLPAPPSSSA-N
MW306.39 g/mol
LogP2.67
Rot. Bonds1

About (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 6016896) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID6016896
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)o1
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-12(20-9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6-
InChIKeyBQRHESFDZVFBFJ-MLPAPPSSSA-N
XLogP2.67
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.67
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)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 6016896) is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)o1.
What is the InChIKey of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is BQRHESFDZVFBFJ-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-5-12(20-9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6-.
What are the key properties of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 306.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 6016896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).