1,2-Epoxy-3-(5-[2-(bicyclo[2.2.1]hept-7-yl)ethylaminocarbonyl]thiazol-2-yloxy)propane

HCID 21391878

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(NCCC1C2CCC1CC2)c1cnc(OCC2CO2)s1
InChIKey: MFDSOZXNXSYBOQ-UHFFFAOYSA-N
Molecular formula: C16H22N2O3S
Average molar mass: 322.4 g/mol

Names & identifiers

Preferred name: 1,2-Epoxy-3-(5-[2-(bicyclo[2.2.1]hept-7-yl)ethylaminocarbonyl]thiazol-2-yloxy)propane
IUPAC: N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-2-(oxiran-2-ylmethoxy)-1,3-thiazole-5-carboxamide

Names & synonyms

1,2-epoxy-3-(5-[2-(bicyclo[2.2.1]hept-7-yl)ethylaminocarbonyl]thiazol-2-yloxy)propane1,2-epoxy-3-[5-(2-(bicyclo[2.2.1]hept-7-yl]ethylaminocarbonyl)thiazol-2-yloxy]propaneSCHEMBL11716801MFDSOZXNXSYBOQ-UHFFFAOYSA-N1,2-epoxy-3-(5-[2-(bicyclo[2.2.1]hept-7-yl)ethylaminocarbonyl]thiazole-2-yloxy)propane

Database identifiers

PubChem CID: 21391878

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 92 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 402

Related reactions

5 records

New reaction record

HRID 461686As productuspto-grants-1977_12

HRID 461688As reactantuspto-grants-1977_12

HRID 462000As productuspto-grants-1977_12

HRID 1121150As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1216505As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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