1,2-Epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazol-2-yloxy]propane

HCID 21392728

Notes Reactions

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Basic information

Standard SMILES: C=CCCCCNC(=O)c1cnc(OCC2CO2)s1
InChIKey: VFXIQLPSUDXUPJ-UHFFFAOYSA-N
Molecular formula: C13H18N2O3S
Average molar mass: 282.36 g/mol
Monoisotopic mass: 282.10381361

Names & identifiers

Preferred name: 1,2-Epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazol-2-yloxy]propane
IUPAC: N-hex-5-enyl-2-(oxiran-2-ylmethoxy)-1,3-thiazole-5-carboxamide

Names & synonyms

SCHEMBL11736911VFXIQLPSUDXUPJ-UHFFFAOYSA-N1,2-epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazol-2-yloxy]propane1,2-epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazole-2-yloxy]propane

Database identifiers

PubChem CID: 21392728

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 92 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 314

Related reactions

5 records

New reaction record

HRID 461841As productuspto-grants-1977_12

HRID 461842As reactantuspto-grants-1977_12

HRID 1222288As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2130265As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2154445As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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