(4-Hydroxy-thiazol-2-yl)acetic acid ethyl ester

C₇H₉NO₃SCAS 79878-57-2187.21 g/mol

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Properties

Molecular formula: C₇H₉NO₃S
Molar mass: 187.21 g/mol
Exact mass: 187.0303 Da
logP: 0.95Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

79878-57-2

SMILES

CCOC(=O)CC1=NC(=CS1)O

InChIKey

ZZGSZEVDFGBFJX-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h4,9H,2-3H2,1H3

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Names and synonyms

1 names

Ethyl (4-hydroxy-1,3-thiazol-2-yl)acetate

Work with (4-Hydroxy-thiazol-2-yl)acetic acid ethyl ester

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

2-(4-Hydroxy-thiazol-2-yl)acetamide87947-94-256 % similar Ethyl 4-hydroxyphenylacetate17138-28-248 % similar Ethyl 2-formamidothiazol-4-acetate64987-05-947 % similar Ethyl 4-pyridineacetate54401-85-345 % similar Ethyl 2-thienylacetate57382-97-545 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-744 % similar Ethyl phenylacetate101-97-344 % similar Ethyl 2-pyridylacetate2739-98-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxybenzenesulfonamide1129-26-6 5-Amino-2-methylbenzenesulfonic acid118-88-7 4-Pyridineethanesulfonic acid53054-76-5 3-Amino-4-methylbenzenesulfonic acid618-03-1 2-Pyridineethanesulfonic acid68922-18-9 2-Amino-5-methylbenzenesulfonic acid88-44-8 2-Amino-4-(methylsulfonyl)phenol98-30-6 4-Amino-3-methylbenzenesulfonic acid98-33-9

Elsewhere

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