[4-(3-Benzyloxy-propyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanol

HCID 59296181

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCCOCc1ccccc1
InChIKey: MZALCUSWDGUBDT-UHFFFAOYSA-N
Molecular formula: C21H20F3NO2S
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.11668454

Names & identifiers

Preferred name: [4-(3-Benzyloxy-propyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanol
IUPAC: [4-(3-phenylmethoxypropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol

Names & synonyms

[4-(3-benzyloxy-propyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanolSCHEMBL3535782{4-[3-(benzyloxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl} methanol{4-[3-(benzyloxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanol

Database identifiers

PubChem CID: 59296181

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 70.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 451

Related reactions

7 records

New reaction record

HRID 101200As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 215610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1574121As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2263375As productuspto-grants-2010_12

HRID 2263376As reactantuspto-grants-2010_12

HRID 2263401As reactantuspto-grants-2010_12

HRID 2263440As reactantuspto-grants-2010_12

Compound notes

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