Ethyl Thiazole-2-carboxylate - CAS 14527-42-5

Catalog:	BB009912
Product Name:	Ethyl Thiazole-2-carboxylate
CAS:	14527-42-5
Synonyms:	2-thiazolecarboxylic acid ethyl ester; ethyl 1,3-thiazole-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 1,3-thiazole-2-carboxylate
Description:	Ethyl Thiazole-2-carboxylate (CAS# 14527-42-5) is a useful research chemical.
Molecular Weight:	157.19
Molecular Formula:	C6H7NO2S
Canonical SMILES:	CCOC(=O)C1=NC=CS1
InChI:	InChI=1S/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
InChI Key:	MVMPKHJUPNWMDZ-UHFFFAOYSA-N
Boiling Point:	226.525 °C at 760 mmHg
Density:	1.242 g/cm³
LogP:	1.31980

Publication Number	Title	Priority Date
CN-111039891-A	Method for synthesizing febuxostat and intermediate thereof	20191226
CN-112789040-A	Transglutaminase 2(TG2) inhibitors	20180810
CN-109134481-B	Substituted pyrrole chromone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20180807
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
CN-112135825-A	Plasma kallikrein inhibitors and uses thereof	20180313

PMID	Publication Date	Title	Journal
22257212	20120101	Synthesis of novel aza-analogues of tiazofurin with 2-[5,5-bis(hydroxymethyl)pyrrolidin-2-yl] framework as sugar mimic	Nucleosides, nucleotides & nucleic acids

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.01974964
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.01974964
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5