Ethyl 4-(4-Pyridyl)-2-thiazolecarboxylate - CAS 216867-38-8

Catalog:	BB017084
Product Name:	Ethyl 4-(4-Pyridyl)-2-thiazolecarboxylate
CAS:	216867-38-8
Synonyms:	4-pyridin-4-yl-2-thiazolecarboxylic acid ethyl ester; ethyl 4-pyridin-4-yl-1,3-thiazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-pyridin-4-yl-1,3-thiazole-2-carboxylate
Description:	Ethyl 4-(4-Pyridyl)-2-thiazolecarboxylate (CAS# 216867-38-8) is a useful research chemical.
Molecular Weight:	234.27
Molecular Formula:	C11H10N2O2S
Canonical SMILES:	CCOC(=O)C1=NC(=CS1)C2=CC=NC=C2
InChI:	InChI=1S/C11H10N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3
InChI Key:	KMLUEVQSOXDFPY-UHFFFAOYSA-N
LogP:	2.38180

Publication Number	Title	Priority Date
CA-2287292-A1	Sulfonamide derivatives, their production and use	19970530
DE-69835430-T2	Sulphonamide derivatives, their preparation and their use	19970530
EP-0986551-A1	Sulfonamide derivatives, their production and use	19970530
EP-0986551-B1	Sulfonamide derivatives, their production and use	19970530
JP-H11236372-A	Sulfonamide derivative, method for producing the same and agent	19970530

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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.04629874
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.04629874
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1