2-Acetamido-5-chlorothiazole

C₅H₅ClN₂OSCAS 20256-39-7176.62 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₅H₅ClN₂OS
Molar mass: 176.62 g/mol
Exact mass: 175.9811 Da
logP: 1.75Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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

20256-39-7

SMILES

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

InChIKey

YLRXYIGXXMJPOP-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)

Weigh it out

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

Work with 2-Acetamido-5-chlorothiazole

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-Acetamido-4-methylthiazole7336-51-843 % similar N-(2-Chloropyridin-4-yl)acetamide13602-82-940 % similar 2-Acetamido-5-fluoropyridine100304-88-938 % similar 2-Acetamido-5-aminopyridine29958-14-338 % similar 2-Acetamido-5-bromopyridine7169-97-338 % similar 3-Acetamidopyridine5867-45-837 % similar N-(6-Aminopyridin-2-yl)acetamide1075-62-335 % similar 4'-tert-Butylacetanilide20330-45-434 % similar

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

Same formula

5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook