Ethyl 2-amino-4-methylthiazole-5-carboxylate

C₇H₁₀N₂O₂SCAS 7210-76-6186.23 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
logP: 1.21Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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

7210-76-6

SMILES

CCOC(=O)C1=C(N=C(S1)N)C

InChIKey

WZHUPCREDVWLKC-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)

Weigh it out

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

Work with Ethyl 2-amino-4-methylthiazole-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 2,4-dimethylthiazole-5-carboxylate7210-77-768 % similar Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-966 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-065 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-265 % similar Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-160 % similar 5-Acetyl-2-amino-4-methylthiazole30748-47-158 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-358 % similar Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate61830-21-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile1187595-85-2 P-Toluenesulfonylhydrazide1576-35-8 Carbimazole22232-54-8 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-0 Ethyl 2-amino-4-thiazoleacetate53266-94-7 4-Amino-3-methylbenzene-1-sulfonamide53297-70-4 3-Amino-4-methylbenzenesulfonamide6274-28-8 5-Amino-2-methylbenzenesulfonamide6973-09-7

Elsewhere

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