Methyl 2-amino-1,3-thiazole-4-carboxylate

C₅H₆N₂O₂SCAS 118452-04-3158.18 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₆N₂O₂S
Molar mass: 158.18 g/mol
Exact mass: 158.0150 Da
logP: 0.51Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118452-04-3

SMILES

COC(=O)C1=CSC(=N1)N

InChIKey

WYVZZWKIKAKUKV-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)

Weigh it out

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

Names and synonyms

1 names

2-Amino-thiazole-4-carboxylic acid methyl ester

Work with Methyl 2-amino-1,3-thiazole-4-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

Methyl 2-bromothiazole-4-carboxylate170235-26-461 % similar 2-Aminothiazole-4-carboxylic acid40283-41-853 % similar Methyl 2-amino-4-thiazoleacetate64987-16-253 % similar Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate64987-08-250 % similar 6-Aminopicolinic acid methyl ester36052-26-349 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-948 % similar 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-2 Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-1 2-Amino-4-thiazoleacetic acid29676-71-9 Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4 Methyl 2-aminothiazole-5-carboxylate6633-61-0 2-(4-Hydroxy-thiazol-2-yl)acetamide87947-94-2

Elsewhere

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