2-(4-Pyridyl)thiazole-4-carboxylic acid - CAS 21278-86-4

Catalog:	BB016748
Product Name:	2-(4-Pyridyl)thiazole-4-carboxylic acid
CAS:	21278-86-4
Synonyms:	2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid

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Computed Properties

IUPAC Name:	2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
Description:	2-(4-Pyridyl)thiazole-4-carboxylic acid (CAS# 21278-86-4) is a useful research chemical.
Molecular Weight:	206.22
Molecular Formula:	C9H6N2O2S
Canonical SMILES:	C1=CN=CC=C1C2=NC(=CS2)C(=O)O
InChI:	InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChI Key:	COOQMBOJAAZEIR-UHFFFAOYSA-N
Boiling Point:	469.3 °C at 760 mmHg
Density:	1.44 g/cm³
Appearance:	Solid
MDL:	MFCD00171745
LogP:	1.90330

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
CN-110407824-A	Aryl methanamide compounds and preparation method thereof, pharmaceutical composition and purposes	20190808
CN-110407824-B	Aryl formamide compound and preparation method, pharmaceutical composition and application thereof	20190808
CN-109476594-A	Indolin derivatives and its use and preparation method	20160708
JP-2019520385-A	Indoline derivatives and methods of using and producing them	20160708

PMID	Publication Date	Title	Journal
21201236	20080930	4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate	Acta crystallographica. Section E, Structure reports online
15500321	20041101	A three-dimensional, noninterpenetrating metal--organic framework with the moganite topology: a simple (4(2)x6(2)x8(2))(4x6(4)x8)(2) net containing two kinds of topologically nonequivalent points	Inorganic chemistry

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Related Functional Groups

Oxazole/Thiazole

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2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
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4-Thiazolemethanamine
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GHS Hazard Statement:	H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.01499861
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.01499861
Rotatable Bond Count:	2
Topological Polar Surface Area:	91.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4