2-N-Boc-amino-thiazole-5-carboxylic acid

C₉H₁₂N₂O₄SCAS 302964-02-9244.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₂N₂O₄S
Molar mass: 244.26 g/mol
Exact mass: 244.0518 Da
logP: 2.19Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction95.1% of notifiers

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

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

302964-02-9

SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)C(=O)O

InChIKey

QNFLEDLPOVONCN-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-4-5(16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)

Weigh it out

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

Work with 2-N-Boc-amino-thiazole-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

N-Boc-2-amino-5-bromothiazole405939-39-162 % similar N-Boc-amino-4-methylthiazole-5-carboxylic acid302963-94-657 % similar Boc-4-abz-oh66493-39-851 % similar 5-(tert-Butoxycarbonylamino)-2-methoxypyridine-4-carboxylic acid183741-86-850 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-549 % similar Boc-2-abz-oh68790-38-549 % similar 2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid2168221-63-248 % similar Boc-3-aminobenzoic acid111331-82-947 % similar

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

Same formula

Pidotimod121808-62-6 (6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid24701-69-7 N,N,2-Trimethyl-5-nitrobenzenesulfonamide433695-36-4

Elsewhere

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