chempirical

4-Methoxy-2-benzothiazolamine

C8H8N2OSCAS 5464-79-9180.23 g/mol

Open in Covalent MOL file
OSHNHN
Ether

Properties

Molecular formula
C8H8N2OS
Molar mass
180.23 g/mol
Exact mass
180.0357 Da
Melting point
146 °C
logP
1.72Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
5464-79-9
SMILES
COc1cccc2sc(=N)[nH]c12
InChIKey
YEBCRAVYUWNFQT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

11 names
  • 2-Benzothiazolamine, 4-methoxy-
  • Benzothiazole, 2-amino-4-methoxy-
  • Benzothiazole, 1-amino-3-methoxy-
  • 2-Amino-4-methoxybenzothiazole
  • 4-Methoxy-1,3-benzothiazol-2-ylamine
  • NSC 28740
  • 4-Methoxy-1,3-benzothiazol-2-amine
  • (4-Methoxybenzothiazol-2-yl)amine
  • 2-Amino-4-methoxy-1,3-benzothiazole
  • 4-Methoxy-2-aminobenzothiazole
  • 4-Methoxybenzo[d]thiazol-2-amine

Work with 4-Methoxy-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

2-Amino-4-methylbenzothiazole1477-42-558 % similar 2-Amino-4-chlorobenzothiazole19952-47-756 % similar 4-Bromo-2-benzothiazolamine20358-02-556 % similar 2-Amino-4-benzothiazolol7471-03-654 % similar 2-Aminobenzothiazole136-95-846 % similar Naphtho[1,2-D]thiazol-2-amine40172-65-445 % similar 7-Methoxyindole3189-22-841 % similar 1,2,3-Trimethoxybenzene634-36-638 % similar

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

Same formula

2-Amino-6-methoxybenzothiazole1747-60-0 2-Mercapto-5-methoxybenzimidazole37052-78-1 5-Methoxy-2-benzothiazolamine54346-87-1 Benzoylthiourea614-23-3

Elsewhere

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