chempirical

5-Methyl-2-benzothiazolamine

C8H8N2SCAS 14779-17-0164.23 g/mol

Open in Covalent MOL file
SNHNH

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
Melting point
182–184 °C
logP
2.02Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
14779-17-0
SMILES
Cc1ccc2sc(=N)[nH]c2c1
InChIKey
MELAGXOBBSTJPI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2-Benzothiazolamine, 5-methyl-
  • Benzothiazole, 2-amino-5-methyl-
  • 5-Methyl-2-aminobenzothiazole
  • 2-Amino-5-methylbenzothiazole
  • 5-Methyl-2-benzothiazolylamine
  • NSC 44453
  • NSC 45346

Work with 5-Methyl-2-benzothiazolamine

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

5-Chloro-2-benzothiazolamine20358-00-358 % similar 5-Bromo-2-benzothiazolamine20358-03-658 % similar 5-Methoxy-2-benzothiazolamine54346-87-157 % similar 5,6-Dimethyl-2-benzothiazolamine29927-08-056 % similar 2-Aminobenzothiazole136-95-852 % similar 2-Amino-5,6-dichlorobenzothiazole24072-75-147 % similar 2,8-Dimethyldibenzothiophene1207-15-445 % similar 2-Amino-6-methoxybenzothiazole1747-60-045 % similar

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

Same formula

5-Amino-2-methylbenzothiazole13382-43-9 2-Amino-4-methylbenzothiazole1477-42-5 2-Amino-6-methylbenzothiazole2536-91-6 2-Mercapto-5-methylbenzimidazole27231-36-3 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6 2-(Methylthio)benzimidazole7152-24-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook