Methyl 2-Bromothiazole-4-carboxylate - CAS 170235-26-4

Catalog:	BB012627
Product Name:	Methyl 2-Bromothiazole-4-carboxylate
CAS:	170235-26-4
Synonyms:	2-bromo-4-thiazolecarboxylic acid methyl ester; methyl 2-bromo-1,3-thiazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-1,3-thiazole-4-carboxylate
Description:	Methyl 2-Bromothiazole-4-carboxylate (CAS# 170235-26-4) is a useful research chemical.
Molecular Weight:	222.06
Molecular Formula:	C5H4BrNO2S
Canonical SMILES:	COC(=O)C1=CSC(=N1)Br
InChI:	InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChI Key:	YOWKNNKTQWCYNC-UHFFFAOYSA-N
Boiling Point:	263.3 °C at 760 mmHg
Density:	1.759 g/cm³
MDL:	MFCD06659908
LogP:	1.69220

Publication Number	Title	Priority Date
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
WO-2021019051-A1	Inhibitors of human atgl	20190730
WO-2020106695-A1	Methods of treating cancer	20181119
TW-202038943-A	Methods of treating cancer	20181119

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.91461
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.91461
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2