chempirical

Tideglusib

C19H14N2O2SCAS 865854-05-3334.39 g/mol

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Properties

Molecular formula
C19H14N2O2S
Molar mass
334.39 g/mol
Exact mass
334.0776 Da
logP
3.26Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
865854-05-3
SMILES
O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
InChIKey
PMJIHLSCWIDGMD-UHFFFAOYSA-N
InChI
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,2,4-Thiadiazolidine-3,5-dione, 2-(1-naphthalenyl)-4-(phenylmethyl)-
  • 2-(1-Naphthalenyl)-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
  • 4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione
  • NP 12
  • NP 031112

Work with Tideglusib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione327036-89-553 % similar N-Benzylisatoic anhydride35710-05-535 % similar 9-(1-Naphthyl) carbazole22034-43-133 % similar 3,5-Diphenyl-4-(1-naphthyl)-1H-1,2,4-triazole16152-10-633 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook