1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

C13H18N2O3S — CID 126498019

IUPAC1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESC=C(OCC)c1nc(C(C)=O)c(N2CCOCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-4-18-10(3)12-14-11(9(2)16)13(19-12)15-5-7-17-8-6-15/h3-8H2,1-2H3
InChIKeyJSNGZIJHXVOVPX-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 126498019) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
PubChem CID126498019
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESC=C(OCC)c1nc(C(C)=O)c(N2CCOCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-4-18-10(3)12-14-11(9(2)16)13(19-12)15-5-7-17-8-6-15/h3-8H2,1-2H3
InChIKeyJSNGZIJHXVOVPX-UHFFFAOYSA-N
XLogP2.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498075
1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498077
4-[4-Acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 126498080
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(5-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497996
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-[2-(Cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498017
1-(2-Cyclohexyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498018
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (CID 126498019) is 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is C=C(OCC)c1nc(C(C)=O)c(N2CCOCC2)s1.
What is the InChIKey of 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is JSNGZIJHXVOVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-18-10(3)12-14-11(9(2)16)13(19-12)15-5-7-17-8-6-15/h3-8H2,1-2H3.
What are the key properties of 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 282.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).