Methyl 2-aminothiazole-5-carboxylate

C₅H₆N₂O₂SCAS 6633-61-0158.17 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₆N₂O₂S
Molar mass: 158.17 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

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

6633-61-0

SMILES

COC(=O)C1=CN=C(S1)N

InChIKey

UJNNCGWBDJHCEM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 2-aminothiazole-5-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

Ethyl 2-aminothiazole-5-carboxylate32955-21-865 % similar Methyl 2-bromothiazole-5-carboxylate54045-74-861 % similar 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-250 % similar Methyl 6-aminonicotinate36052-24-149 % similar Methyl 1,3-thiazole-5-carboxylate14527-44-749 % similar Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-948 % similar 2-Amino-benzothiazole-6-carboxylic acid methyl ester66947-92-044 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-3 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 2-(4-Hydroxy-thiazol-2-yl)acetamide87947-94-2

Elsewhere

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