2-Acetamido-4-chloromethylthiazole

HCID 81963CAS 7460-59-5

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1nc(CCl)cs1
InChIKey: NBUKMHXINQOFDI-UHFFFAOYSA-N
Molecular formula: C6H7ClN2OS
Average molar mass: 190.65 g/mol
Monoisotopic mass: 189.99676152

Overview

structure

Names & identifiers

Preferred name: 2-Acetamido-4-chloromethylthiazole
IUPAC: N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
English name: 2-ACETAMIDO-4-(CHLOROMETHYL)THIAZOLE
Molecular formula: C6H7ClN2OS
Molecular weight: 190.65058

Names & synonyms

7460-59-52-Acetamido-4-(chloromethyl)thiazole2-Acetamido-4-chloromethylthiazole21SR5XA2HHNSC-30210DTXSID00225574RefChem:84937DTXCID30148065635-773-9N-[4-(Chloromethyl)-1,3-thiazol-2-yl]acetamide2-Acetylamino-4-(chloromethyl)thiazoleN-(4-(Chloromethyl)thiazol-2-yl)acetamide

Show more names

Nsc 30210N-[4-(Chloromethyl)-2-thiazolyl]acetamideN-[4-(chloromethyl)-1,3-thiazol-2-yl]ethanamideAcetamide, N-(4-(chloromethyl)-2-thiazolyl)- (8ci)(9ci)

Acetamide, N-[4-(chloromethyl)-2-thiazolyl]-MFCD000224412-Acetamido-4-(chloromethyl)-1,3-thiazoleN-(4-chloromethylthiazol-2-yl)acetamideAcetamide, N-(4-(chloromethyl)-2-thiazolyl)-N-{4-(Chloromethyl)-1,3-thiazol-2-yl}acetamideN-[4-(chloromethyl)thiazol-2-yl]acetamideUNII-21SR5XA2HH

Database identifiers

CAS: 7460-59-5
PubChem CID: 81963
DTXSID: DTXSID00225574
ChEMBL: CHEMBL340416
UNII: 21SR5XA2HH
EC Number: 635-773-9
Nikkaji: J139.501G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 166 · 166-168°C
FDA UNII: 21 SR5XA2HH · 21SR5XA2HH
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P301+P310-P261
Hazard Codes: Xi
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.