N-(2-thiazolyl)-3-oxo-butanamide

Modify Date: 2025-08-24 19:24:13

N-(2-thiazolyl)-3-oxo-butanamide Structure
N-(2-thiazolyl)-3-oxo-butanamide structure
 Common Name N-(2-thiazolyl)-3-oxo-butanamide
CAS Number 705-87-3 Molecular Weight 184.21600
Density 1.361g/cm3 Boiling Point N/A
Molecular Formula C7H8N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name N-(2-thiazolyl)-3-oxo-butanamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.361g/cm3
Molecular Formula C7H8N2O2S
Molecular Weight 184.21600
Exact Mass 184.03100
PSA 87.30000
LogP 1.13370
Index of Refraction 1.599
InChIKey IWMDVLIESVGDLX-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)Nc1nccs1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK4100000
CHEMICAL NAME :
Acetoacetamide, N-2-thiazolyl-
CAS REGISTRY NUMBER :
705-87-3
BEILSTEIN REFERENCE NO. :
0149764
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N2-O2-S
MOLECULAR WEIGHT :
184.23
WISWESSER LINE NOTATION :
T5N CSJ BMV1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03629

 Synthetic Route

2-Aminothiazole structure

2-Aminothiazole

CAS#:96-50-4

2,2,6-Trimethyl-4H-1,3-dioxin-4-one structure

2,2,6-Trimethyl...

CAS#:5394-63-8

~88%

N-(2-thiazolyl)-3-oxo-butanamide Structure

N-(2-thiazolyl)...

CAS#:705-87-3

Literature: Razzaghi-Asl, Nima; Firuzi, Omidreza; Hemmateenejad, Bahram; Javidnia, Katayoun; Edraki, Najmeh; Miri, Ramin Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 22 p. 6893 - 6909
2-Aminothiazole structure

2-Aminothiazole

CAS#:96-50-4

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~80%

N-(2-thiazolyl)-3-oxo-butanamide Structure

N-(2-thiazolyl)...

CAS#:705-87-3

Literature: Mandal; Sinha; Banerjee Journal of the Indian Chemical Society, 1987 , vol. 64, # 5 p. 318 - 321

 Synonyms

2-Acetylacetamino-thiazol
3-oxo-N-thiazol-2-yl-butyramide
2-acetoacetamidothiazole
3-keto-N-thiazol-2-yl-butyramide
N-Thiazol-2-yl-acetoacetamid
2-Acetacetamido-thiazol
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