chempirical

2-Amino-4-methylbenzothiazole

C8H8N2SCAS 1477-42-5164.23 g/mol

Open in Covalent MOL file
SHNHN

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
Melting point
138 °C
logP
2.02Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
1477-42-5
SMILES
Cc1cccc2sc(=N)[nH]c12
InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

10 names
  • 2-Benzothiazolamine, 4-methyl-
  • Benzothiazole, 2-amino-4-methyl-
  • Benzothiazole, 1-amino-3-methyl-
  • 4-Methyl-2-benzothiazolamine
  • 4-Methyl-2-aminobenzothiazole
  • 4-Methylbenzothiazol-2-ylamine
  • NSC 28732
  • 4-Methyl-1,3-benzothiazol-2-amine
  • 4-Methylbenzo[d]thiazol-2-amine
  • 2-Amino-4-methylbenzo[d]thiazole

Work with 2-Amino-4-methylbenzothiazole

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

2-Amino-4-benzothiazolol7471-03-664 % similar 2-Amino-4-chlorobenzothiazole19952-47-761 % similar 4-Bromo-2-benzothiazolamine20358-02-561 % similar 4-Methoxy-2-benzothiazolamine5464-79-958 % similar 2-Aminobenzothiazole136-95-850 % similar 5,6-Dimethyl-2-benzothiazolamine29927-08-050 % similar Naphtho[1,2-D]thiazol-2-amine40172-65-449 % similar 5-Chloro-2-benzothiazolamine20358-00-339 % similar

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

Same formula

5-Amino-2-methylbenzothiazole13382-43-9 5-Methyl-2-benzothiazolamine14779-17-0 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

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