S-1-Naphthyl 2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carbothioate

HCID 86652913
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Basic information

Standard SMILES
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)Sc3cccc4ccccc34)cs2)CC1
InChIKey
MBDMCVALLGYLOC-UHFFFAOYSA-N
Molecular formula
C26H23F3N4O2S2
Average molar mass
544.6 g/mol

Names & identifiers

Preferred name
S-1-Naphthyl 2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carbothioate
IUPAC
S-naphthalen-1-yl 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carbothioate

Names & synonyms

S-1-Naphthyl 2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carbothioateSCHEMBL1120278

Database identifiers

PubChem CID
86652913

Properties

Computed structural properties

XLogP
6
Topological polar surface area
122 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
37

Related reactions

3 records
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Compound notes

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