1,1-Dimethylethyl N-4-thiazolylcarbamate

C₈H₁₂N₂O₂SCAS 1235406-42-4200.26 g/mol

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Properties

Molecular formula: C₈H₁₂N₂O₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0619 Da
Melting point: 153–155 °C
logP: 2.50Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

1235406-42-4

SMILES

CC(C)(C)OC(O)=Nc1cscn1

InChIKey

NNPOFSOQPYVUDW-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-4-13-5-9-6/h4-5H,1-3H3,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

Carbamic acid, N-4-thiazolyl-, 1,1-dimethylethyl ester
(1,3-Thiazol-4-yl)carbamic acid tert-butyl ester
Thiazol-4-ylcarbamic acid tert-butyl ester
tert-Butyl N-(1,3-thiazol-4-yl)carbamate

Work with 1,1-Dimethylethyl N-4-thiazolylcarbamate

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

Boc-D-4-thiazolylalanine134107-69-050 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-844 % similar 4-(((1,1-Dimethylethoxy)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid128293-64-144 % similar tert-Butyl N-(furan-3-yl)carbamate56267-48-242 % similar tert-Butyl N-hydroxycarbamate36016-38-342 % similar tert-Butyl carbazate870-46-241 % similar 1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-039 % similar 1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7 4-(2-Aminoethyl)benzenesulfonamide35303-76-5 1,3-Diethyl-2-thiobarbituric acid5217-47-0

Elsewhere

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