chempirical

2-Amino-4-methoxy-6-benzothiazolecarboxylic acid methyl ester

C10H10N2O3SCAS 955886-84-7238.26 g/mol

Open in Covalent MOL file
OOOSNNH2
EsterEtherPrimary amine

Properties

Molecular formula
C10H10N2O3S
Molar mass
238.26 g/mol
Exact mass
238.0412 Da
logP
1.67Crippen estimate
Polar surface area
74.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2

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
955886-84-7
SMILES
COC1=C2C(=CC(=C1)C(=O)OC)SC(=N2)N
InChIKey
SYZNSAWWLCRFFT-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O3S/c1-14-6-3-5(9(13)15-2)4-7-8(6)12-10(11)16-7/h3-4H,1-2H3,(H2,11,12)

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Names and synonyms

1 names
  • Methyl 2-amino-4-methoxybenzo[d]thiazole-6-carboxylate

Work with 2-Amino-4-methoxy-6-benzothiazolecarboxylic acid methyl ester

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-benzothiazole-6-carboxylic acid methyl ester66947-92-060 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-051 % similar Methyl 4-amino-3-methoxybenzoate41608-64-450 % similar Methyl syringate884-35-549 % similar Methyl 3-amino-4-methoxybenzoate24812-90-647 % similar Methyl 3,4-dimethoxybenzoate2150-38-147 % similar Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-245 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-044 % similar

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

Elsewhere

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