Methyl 2-amino-4-thiazoleacetate

C₆H₈N₂O₂SCAS 64987-16-2172.20 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₈N₂O₂S
Molar mass: 172.20 g/mol
Exact mass: 172.0306 Da
logP: 0.44Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

64987-16-2

SMILES

COC(=O)CC1=CSC(=N1)N

InChIKey

XTQKFBGFHDNUFY-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)

Weigh it out

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

Names and synonyms

1 names

Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate

Work with Methyl 2-amino-4-thiazoleacetate

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-amino-1,3-thiazole-4-carboxylate118452-04-353 % similar 2-(2-Aminothiazol-4-yl) acetic acid hydrochloride66659-20-952 % similar Methyl 2-pyridineacetate1658-42-045 % similar Methyl (2-thienyl)acetate19432-68-944 % similar Methyl 3-thiopheneacetate58414-52-143 % similar Methyl 2-(6-aminopyridin-3-yl)acetate174891-02-242 % similar Methyl 4-pyridineacetate29800-89-341 % similar Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate64987-08-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-4-Thiazolylalanine119433-80-6 D-4-Thiazolylalanine131896-42-9 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one175205-07-9 Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-9 Ethyl 2-aminothiazole-5-carboxylate32955-21-8 2-Aminobenzenesulfonamide3306-62-5 Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-9 Ethyl 2-aminothiazole-4-carboxylate5398-36-7

Elsewhere

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