Ethyl 2-aminothiazole-4-carboxylate

C₆H₈N₂O₂SCAS 5398-36-7172.20 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₆H₈N₂O₂S
Molar mass: 172.20 g/mol
Exact mass: 172.0306 Da
Melting point: 172 °C
logP: 0.73Crippen estimate
Polar surface area: 65.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

5398-36-7

SMILES

CCOC(=O)c1csc(=N)[nH]1

InChIKey

XHFUVBWCMLLKOZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2S/c1-2-10-5(9)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

11 names

Ethyl 2-amino-4-thiazolecarboxylate
Ethyl 2-amino-1,3-thiazole-4-carboxylate
4-Thiazolecarboxylic acid, 2-amino-, ethyl ester
2-Amino-4-(ethoxycarbonyl)-1,3-thiazole
2-Amino-4-thiazolecarboxylic acid ethyl ester
2-Amino-4-ethoxycarbonylthiazole
2-Aminothiazol-4-carboxylic acid ethyl ester
NSC 43547
NSC 4464
2-Amino-1,3-thiazole-4-carboxylic acid ethyl ester
2-Imino-2,3-dihydro-thiazole-4-carboxylic acid ethyl ester

Work with Ethyl 2-aminothiazole-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-9Salt

Similar compounds

Ethyl 2-amino-4-thiazoleacetate53266-94-759 % similar Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate64485-82-158 % similar Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate64485-88-757 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-351 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-651 % similar Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate344-72-949 % similar Ethyl pyrrole-2-carboxylate2199-43-149 % similar Ethyl imidazole-4-carboxylate23785-21-948 % 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 Sulfanilamide63-74-1

Elsewhere

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