4-(4-Methyl-5-thiazolyl)benzonitrile - CAS 122957-57-7

Catalog:	BB005608
Product Name:	4-(4-Methyl-5-thiazolyl)benzonitrile
CAS:	122957-57-7
Synonyms:	4-(4-methyl-5-thiazolyl)benzonitrile; 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
Description:	4-(4-Methyl-5-thiazolyl)benzonitrile (CAS# 122957-57-7) is a useful research chemical.
Molecular Weight:	200.26
Molecular Formula:	C11H8N2S
Canonical SMILES:	CC1=C(SC=N1)C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C11H8N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChI Key:	REUDLMVWBUGLDA-UHFFFAOYSA-N
MDL:	MFCD29041978
LogP:	2.99018

Publication Number	Title	Priority Date
WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
WO-2020264490-A1	Irak degraders and uses thereof	20190628
WO-2020113233-A1	Irak degraders and uses thereof	20181130
CN-113423427-A	IRAK degrading agents and uses thereof	20181130

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[618-40-6]
1-Methyl-1-phenylhydrazine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[216959-34-1]
Ethyl N-(tert-butoxycarbonyl)oxamate
[83554-67-0]
N-Methyl-3-phenyl-2-propen-1-amine

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.04081944
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7