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

C15H18N2O3S — CID 51902396

IUPAC(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](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-/t10-,11-/m1/s1
InChIKeyBQRHESFDZVFBFJ-AZMCLKLJSA-N
MW306.39 g/mol
LogP2.67
Rot. Bonds1

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

(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 51902396) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID51902396
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](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-/t10-,11-/m1/s1
InChIKeyBQRHESFDZVFBFJ-AZMCLKLJSA-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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Related Compounds

(5Z)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 51372327
(5Z)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 6562508
(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 21234651
(5E)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 6545800
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-one
CID 7494070
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
CID 44614899
(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
CID 6940786
5-[(4-chlorophenyl)methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
CID 2936874
(5Z)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 6581579
(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 7278105
(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 92860171
5-[(3-bromophenyl)methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
CID 611437

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 51902396) is (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)o1.
What is the InChIKey of (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is BQRHESFDZVFBFJ-AZMCLKLJSA-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-/t10-,11-/m1/s1.
What are the key properties of (5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-[(2R,6R)-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-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 51902396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).