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4-(Trifluoromethyl)thiazole-2-carboxylic Acid

4-(Trifluoromethyl)thiazole-2-carboxylic Acid - CAS 944900-55-4

Catalog:	BB041363
Product Name:	4-(Trifluoromethyl)thiazole-2-carboxylic Acid
CAS:	944900-55-4
Synonyms:	4-(trifluoromethyl)-2-thiazolecarboxylic acid; 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
Description:	4-(Trifluoromethyl)thiazole-2-carboxylic Acid (CAS# 944900-55-4) is a useful research chemical.
Molecular Weight:	197.14
Molecular Formula:	C5H2F3NO2S
Canonical SMILES:	C1=C(N=C(S1)C(=O)O)C(F)(F)F
InChI:	InChI=1S/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)
InChI Key:	UJIAFLBUSAICKJ-UHFFFAOYSA-N
Boiling Point:	294.305 °C at 760 mmHg
Density:	1.668 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.86010

Publication Number	Title	Priority Date
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
US-2021300912-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
CN-112279853-A	Selective JAK1 inhibitor compound and preparation method and application thereof	20190723
WO-2020264499-A1	Irak degraders and uses thereof	20190628

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Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.97583397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.97583397
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7