Ethyl 2-methylthiazole-4-carboxylate

C₇H₉NO₂SCAS 6436-59-5171.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉NO₂S
Molar mass: 171.21 g/mol
Exact mass: 171.0354 Da
logP: 1.63Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

6436-59-5

SMILES

CCOC(=O)C1=CSC(=N1)C

InChIKey

QWWPUBQHZFHZSF-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3

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

Names and synonyms

1 names

Ethyl 2-methyl-1,3-thiazole-4-carboxylate

Work with Ethyl 2-methylthiazole-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

Similar compounds

Ethyl 2-bromothiazole-4-carboxylate100367-77-965 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-665 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-356 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-655 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-455 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-753 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-251 % similar Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate175276-93-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8

Elsewhere

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