N-Boc-amino-4-methylthiazole-5-carboxylic acid

C₁₀H₁₄N₂O₄SCAS 302963-94-6258.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₄N₂O₄S
Molar mass: 258.29 g/mol
Exact mass: 258.0674 Da
logP: 2.50Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

302963-94-6

SMILES

CC1=C(SC(=N1)NC(=O)OC(C)(C)C)C(=O)O

InChIKey

FHNRXEYKJBDNKP-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O4S/c1-5-6(7(13)14)17-8(11-5)12-9(15)16-10(2,3)4/h1-4H3,(H,13,14)(H,11,12,15)

Weigh it out

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

Work with N-Boc-amino-4-methylthiazole-5-carboxylic acid

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-N-Boc-amino-thiazole-5-carboxylic acid302964-02-957 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-248 % similar Boc-4-abz-oh66493-39-847 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-646 % similar N-Boc-2-amino-5-bromothiazole405939-39-145 % similar Boc-2-abz-oh68790-38-545 % similar Boc-3-aminobenzoic acid111331-82-943 % similar 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid77716-11-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook