2-Amino-benzothiazole-6-carboxylic acid methyl ester

C₉H₈N₂O₂SCAS 66947-92-0208.23 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₈N₂O₂S
Molar mass: 208.23 g/mol
Exact mass: 208.0306 Da
logP: 1.67Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

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

66947-92-0

SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)N

InChIKey

DNGZINUIRBDWED-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)

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Names and synonyms

1 names

2-Aminobenzothiazole deriv., 2

Work with 2-Amino-benzothiazole-6-carboxylic 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

Methyl 2,1,3-benzothiadiazole-5-carboxylate175204-21-453 % similar Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-250 % similar Methyl 3,4-diaminobenzoate36692-49-650 % similar Dimethyl 3-aminoterephthalate5372-81-649 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-348 % similar Ethyl 2-chloro-6-benzothiazolecarboxylate78485-37-747 % similar Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-447 % similar Methyl 6-quinolinecarboxylate38896-30-947 % similar

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

Same formula

Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate111042-90-1 (2-Benzimidazolylthio)-acetic acid3042-00-0

Elsewhere

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