4-(4-[1,2,3]Triazol-1-ylmethyl-thiazol-2-yl)-phenol

HCID 136355232
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(-c2nc(Cn3ccnn3)cs2)cc1
InChIKey
RSMYCJXRYUPYED-UHFFFAOYSA-N
Molecular formula
C12H10N4OS
Average molar mass
258.3 g/mol
Monoisotopic mass
258.05753213

Names & identifiers

Preferred name
4-(4-[1,2,3]Triazol-1-ylmethyl-thiazol-2-yl)-phenol
IUPAC
4-[4-(triazol-1-ylmethyl)-1,3-thiazol-2-yl]phenol

Names & synonyms

SCHEMBL5403596RSMYCJXRYUPYED-UHFFFAOYSA-N4-(4-[1,2,3]triazol-1-ylmethyl-thiazol-2-yl)-phenol4-(4-[1,2,3]triazol-1-ylmethyl-thiazol-2-yl) -phenol

Database identifiers

PubChem CID
136355232

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
92.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

Loading…