chempirical

Tizanidine

C9H8ClN5SCAS 51322-75-9253.71 g/mol

Open in Covalent MOL file
ClNSNNHNHN
Aryl halideGuanidine

Properties

Molecular formula
C9H8ClN5S
Molar mass
253.71 g/mol
Exact mass
253.0189 Da
Melting point
221–223 °C
logP
1.72Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
51322-75-9
SMILES
Clc1ccc2nsnc2c1NC1=NCCN1
InChIKey
XFYDIVBRZNQMJC-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)

Weigh it out

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

Names and synonyms

4 names
  • 2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
  • 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
  • Tizalud
  • (5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine

Work with Tizanidine

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

Tizanidine hydrochloride64461-82-193 % similar Clonidine4205-90-760 % similar Clonidine hydrochloride4205-91-856 % similar Apraclonidine66711-21-551 % similar Apraclonidine hydrochloride73218-79-848 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole115398-34-042 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole30536-19-742 % similar Brimonidine59803-98-440 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook