Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

C₆H₈N₂O₂SCAS 3829-80-9172.20 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: 0.82Crippen 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 3 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

3829-80-9

SMILES

CC1=C(SC(=N1)N)C(=O)OC

InChIKey

TYUGYIMCRDPMPJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)

Weigh it out

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Names and synonyms

1 names

Methyl 2-amino-4-methylthiazole-5-carboxylate

Work with Methyl 2-amino-4-methyl-1,3-thiazole-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-amino-4-methylthiazole-5-carboxylate7210-76-666 % similar 5-Acetyl-2-amino-4-methylthiazole30748-47-163 % similar Methyl 4-methylthiazole-5-carboxylate81569-44-049 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-348 % similar Methyl 2-aminothiazole-5-carboxylate6633-61-048 % similar 2-Amino-benzothiazole-6-carboxylic acid methyl ester66947-92-047 % similar 3-Amino-5-methyl-thiophene-2-carboxylic acid methyl ester76575-71-846 % similar Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-144 % 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 Ethyl 2-aminothiazole-4-carboxylate5398-36-7 Sulfanilamide63-74-1

Elsewhere

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