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Ethyl 4-(4-Fluorophenyl)-2-thiazolecarboxylate

Ethyl 4-(4-Fluorophenyl)-2-thiazolecarboxylate - CAS 886366-37-6

Catalog:	BB039070
Product Name:	Ethyl 4-(4-Fluorophenyl)-2-thiazolecarboxylate
CAS:	886366-37-6
Synonyms:	4-(4-fluorophenyl)-2-thiazolecarboxylic acid ethyl ester; ethyl 4-(4-fluorophenyl)-1,3-thiazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-(4-fluorophenyl)-1,3-thiazole-2-carboxylate
Description:	Ethyl 4-(4-Fluorophenyl)-2-thiazolecarboxylate (CAS# 886366-37-6) is a useful research chemical.
Molecular Weight:	251.28
Molecular Formula:	C12H10FNO2S
Canonical SMILES:	CCOC(=O)C1=NC(=CS1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C12H10FNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:	GUUPIAOHATZXPK-UHFFFAOYSA-N
LogP:	3.12590

Publication Number	Title	Priority Date
WO-2020035424-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
WO-2020035425-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
AU-2019322161-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
CA-3098272-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
TW-202021970-A	New heterocyclic compounds	20180813

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Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.0416279
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.0416279
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3