Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate

C₁₂H₁₂N₂O₂SCAS 64399-23-1248.30 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₂H₁₂N₂O₂S
Molar mass: 248.30 g/mol
Exact mass: 248.0619 Da
logP: 2.57Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

64399-23-1

SMILES

CCOC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2

InChIKey

OZMXFXOHCUEEPD-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)

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Names and synonyms

1 names

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

Work with Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate

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-amino-4-methylthiazole-5-carboxylate7210-76-660 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-357 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-851 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-351 % similar Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate4815-37-649 % similar Ethyl 2-amino-4-phenylthiophene-3-carboxylate4815-36-549 % similar Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate61830-21-549 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3'-Sulphonyldianiline599-61-1 Enoximone77671-31-9 Dapsone80-08-0 3-Amino-N-phenylbenzenesulfonamide80-21-7

Elsewhere

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