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1-(5-Methoxymethyl-4-methyl-2-thiazolyl)-1-(3-thienyl)ethanol

HCID 18936355
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1sc(C(C)(O)c2ccsc2)nc1C
InChIKey
IEPSRBBJSIJJFB-UHFFFAOYSA-N
Molecular formula
C12H15NO2S2
Average molar mass
269.4 g/mol

Names & identifiers

Preferred name
1-(5-Methoxymethyl-4-methyl-2-thiazolyl)-1-(3-thienyl)ethanol
IUPAC
1-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]-1-thiophen-3-ylethanol

Names & synonyms

SCHEMBL8616835IEPSRBBJSIJJFB-UHFFFAOYSA-N1-(5-Methoxymethyl-4-methyl-2-thiazolyl)-1-(3-thienyl)ethanol

Database identifiers

PubChem CID
18936355

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
98.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
267

Related reactions

3 records
New reaction record
HRID 2834 reaction equation
HRID 2834As productuspto-grants-1998_03
HRID 975076 reaction equation
HRID 975076As productuspto-grants-1997_03
HRID 1553357 reaction equation
HRID 1553357As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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