2-Acetamidothiazole

HCID 17625

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Basic information

CAS: 2719-23-5
Standard SMILES: CC(=O)Nc1nccs1
InChIKey: WXPLRSVMGRAIGW-UHFFFAOYSA-N
Molecular formula: C5H6N2OS
Average molar mass: 142.18 g/mol
Monoisotopic mass: 142.02008399

Names & identifiers

Preferred name: 2-Acetamidothiazole
IUPAC: N-(1,3-thiazol-2-yl)acetamide
English name: 2-Acetamidothiazole
Molecular formula: C5H6N2OS
Molecular weight: 142.18

Names & synonyms

2-Acetamidothiazole2719-23-52-AcetylaminothiazoleN-(1,3-Thiazol-2-yl)acetamideAcetamide, N-2-thiazolyl-2-Acetamido-1,3-thiazoleN-2-ThiazolylacetamideThiazole, 2-acetamido-ACETAMIDE, N-(2-THIAZOLYL)-EINECS 220-321-1NSC 18750NSC 44844

Show more names

N-(THIAZOL-2-YL)ACETAMIDEAKOS AU36-M3755-Acetamidothiazole2-ACETAMINOTHIAZOLEACETYLAMINOTHIAZOLEn-2-thiazolyl-acetamid2-Acetamidothiazole 98%

O94697VKTVAI3-32922NSC-18750NSC-44844DTXSID3062607WXPLRSVMGRAIGW-UHFFFAOYSA-RefChem:462784DTXCID7037632

Database identifiers

CAS: 2719-23-5
PubChem CID: 17625
DTXSID: DTXSID3062607
UNII: O94697VKTV
EC Number: 220-321-1
Nikkaji: J37.302H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 202 · 202-206 °C (dec.)(lit.)
Density: 1.291 · 1.291 (estimate)
refractive index: 1.643 · 1.6430 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 9.7 · 9.70±0.50(Predicted)
color: White to Orange to Green
CAS DataBase Reference: 2719 · 2719-23-5(CAS DataBase Reference)
FDA UNII: 94697 VKTV · O94697VKTV
EPA Substance Registry System: -2 · Acetamide, N-2-thiazolyl- (2719-23-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36-26
WGK Germany: 3 · 3
RTECS: 8800000 · AC8800000
Hazard Note: Irritant/Keep Cold
TSCA: TSCA listed
HS Code: 29341000 · 29341000
Toxicity: 50 · mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00690,

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: AC8800000
hs_code: 29341000
Toxicity: mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00690,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 24/25-36-26
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501