Methyl 3-amino-5-tert-butylthiophene-2-carboxylate

C₁₀H₁₅NO₂SCAS 175137-03-8213.29 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₁₅NO₂S
Molar mass: 213.29 g/mol
Exact mass: 213.0823 Da
logP: 2.41Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175137-03-8

SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)N

InChIKey

WHJBGOQJMFAKHY-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3

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

Names and synonyms

1 names

Methyl 3-amino-5-(tert-butyl)thiophene-2-carboxylate

Work with Methyl 3-amino-5-tert-butylthiophene-2-carboxylate

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

3-Amino-5-(tert-butyl)thiophene-2-carboxamide175137-04-962 % similar 1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one175137-06-162 % similar 3-Amino-5-methyl-thiophene-2-carboxylic acid methyl ester76575-71-862 % similar Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-755 % similar Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate175137-08-351 % similar Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate91076-93-651 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-450 % similar Dimethyl 3-aminoterephthalate5372-81-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-4 4-N-Butylbenzenesulfonamide1135-00-8 (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol16854-32-3 N-Butylbenzenesulfonamide3622-84-2 (3aS,6R)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide60886-80-8 4-tert-Butylbenzenesulfonamide6292-59-7 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-6

Elsewhere

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