2-Acetamido-4-methylthiazole - CAS 7336-51-8

Catalog:	BB034829
Product Name:	2-Acetamido-4-methylthiazole
CAS:	7336-51-8
Synonyms:	N-(4-methyl-1,3-thiazol-2-yl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(4-methyl-1,3-thiazol-2-yl)acetamide
Description:	2-Acetamido-4-methylthiazole (CAS# 7336-51-8) is a benzothiazinone analog, which is shown to be the xanthine oxidase inhibitor.
Molecular Weight:	156.21
Molecular Formula:	C6H8N2OS
Canonical SMILES:	CC1=CSC(=N1)NC(=O)C
InChI:	InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)
InChI Key:	DPDJXTANWGNJOE-UHFFFAOYSA-N
Melting Point:	134-136 °C (lit.)
Purity:	95 %
Density:	1.285 g/cm³
MDL:	MFCD00011561
LogP:	1.48290

Publication Number	Title	Priority Date
CN-113350347-A	Novel use of indazole compound	20200305
WO-2021174581-A1	New use of indazole compound	20200305
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2020210379-A1	Phosphatidylinositol 3-kinase inhibitors	20190410
TW-202104223-A	Phosphatidylinositol 3-kinase inhibitors	20190410

PMID	Publication Date	Title	Journal
12127537	20020819	Design and synthesis of novel inhibitors of gelatinase B	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[56355-79-4]
Ethyl 2-(2-bromothiazol-4-yl)acetate
[6721-80-8]
Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate
[886497-58-1]
Ethyl 2-(cyclopentylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.03573406
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9