Ethyl 2-bromo-4-methylthiazole-5-carboxylate - CAS 22900-83-0

Catalog:	BB017800
Product Name:	Ethyl 2-bromo-4-methylthiazole-5-carboxylate
CAS:	22900-83-0
Synonyms:	ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
Description:	Ethyl 2-bromo-4-methylthiazole-5-carboxylate (CAS# 22900-83-0) is a useful research chemical.
Molecular Weight:	250.11
Molecular Formula:	C7H8BrNO2S
Canonical SMILES:	CCOC(=O)C1=C(N=C(S1)Br)C
InChI:	InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChI Key:	CFBIOWPDDZPIDP-UHFFFAOYSA-N
Boiling Point:	287.1 °C at 760 mmHg
Density:	1.573 g/cm³
MDL:	MFCD03791227
LogP:	2.39070

Publication Number	Title	Priority Date
WO-2021067654-A1	Indazole carboxamides as kinase inhibitors	20191003
WO-2020247819-A2	Methods of treatment with aminolevulinic acid synthase 2 (alas2) modulators	20190607
JP-2020128368-A	Medicine containing an azole-substituted pyridine compound as an active ingredient	20190208
CN-109734712-B	Aryl or heteroaryl substituted pyrrolidine amide derivatives and uses thereof	20190130
WO-2020095215-A1	Chemical compounds	20181108

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[3973-08-8]
4-Thiazolecarboxylic acid
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94591
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94591
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9