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2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-ethanol

HCID 22647490
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIKey
IUNAGYREGFNTPI-UHFFFAOYSA-N
Molecular formula
C13H12F3NOS
Average molar mass
287.3 g/mol

Names & identifiers

Preferred name
2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-ethanol
IUPAC
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol

Names & synonyms

2-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-ethanolSCHEMBL9684444-(2-hydroxy-ethyl)-5-methyl-2-(4-trifluoromethyl-phenyl)thiazole

Database identifiers

PubChem CID
22647490

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
61.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
292

Related reactions

13 records
New reaction record
HRID 157202 reaction equation
HRID 157202As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 253205 reaction equation
HRID 253205As productuspto-grants-2011_01
HRID 253206 reaction equation
HRID 253206As reactantuspto-grants-2011_01
HRID 394278 reaction equation
HRID 394278As reactantuspto-grants-2004_10
HRID 394311 reaction equation
HRID 394311As reactantuspto-grants-2004_10
HRID 394409 reaction equation
HRID 394409As reactantuspto-grants-2004_10
HRID 394410 reaction equation
HRID 394410As reactantuspto-grants-2004_10
HRID 490770 reaction equation
HRID 490770As reactantuspto-grants-2009_05
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Compound notes

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