Ethyl 2-aminothiazole-5-carboxylate

C₆H₈N₂O₂SCAS 32955-21-8172.20 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: 0.90Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

32955-21-8

SMILES

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

InChIKey

VNZXERIGKZNEKB-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)

Weigh it out

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

Names and synonyms

1 names

2-Amino-thiazole-5-carboxylic acid ethyl ester

Work with Ethyl 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

Methyl 2-aminothiazole-5-carboxylate6633-61-065 % similar Ethyl 2-bromothiazole-5-carboxylate41731-83-364 % similar Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-664 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-460 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-255 % similar Ethyl thiazole-5-carboxylate32955-22-954 % similar 5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-854 % similar Ethyl 6-aminonicotinate39658-41-852 % 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 2-Aminobenzenesulfonamide3306-62-5 Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-9 Ethyl 2-aminothiazole-4-carboxylate5398-36-7 Sulfanilamide63-74-1

Elsewhere

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