Np mrd loader

Record Information
Version2.0
Created at2024-09-11 11:58:02 UTC
Updated at2024-09-11 11:58:02 UTC
NP-MRD IDNP0337692
Secondary Accession NumbersNone
Natural Product Identification
Common Name2-Ethoxythiazole
Description2-Ethoxythiazole, also known as fema 3340, belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. 2-Ethoxythiazole is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Ethoxythiazole is a burnt, meat, and musty tasting compound. Outside of the human body,.
Structure
Thumb
Synonyms
ValueSource
2-Ethoxy-thiazoleHMDB
2-Thiazolyl ethyl etherHMDB
Ethyl 2-thiazolyl etherHMDB
FEMA 3340HMDB
Chemical FormulaC5H7NOS
Average Mass129.1800 Da
Monoisotopic Mass129.02483 Da
IUPAC Name2-ethoxy-1,3-thiazole
Traditional Name2-ethoxy-1,3-thiazole
CAS Registry NumberNot Available
SMILES
CCOC1=NC=CS1
InChI Identifier
InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3
InChI KeyNDUWJHRKDYXRAD-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentAlkyl aryl ethers
Alternative Parents
Substituents
  • Alkyl aryl ether
  • Heteroaromatic compound
  • Thiazole
  • Azole
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.49ALOGPS
logP1.52ChemAxon
logS-1.5ALOGPS
pKa (Strongest Basic)0.47ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area22.12 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity31.95 m³·mol⁻¹ChemAxon
Polarizability13.03 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0041282
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB021198
KNApSAcK IDNot Available
Chemspider ID55689
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61809
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available