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2-Chloro-5-methylthiazole-4-carboxylic Acid

2-Chloro-5-methylthiazole-4-carboxylic Acid - CAS 1194374-24-7

Catalog:	BB004500
Product Name:	2-Chloro-5-methylthiazole-4-carboxylic Acid
CAS:	1194374-24-7
Synonyms:	2-chloro-5-methyl-4-thiazolecarboxylic acid; 2-chloro-5-methyl-1,3-thiazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-methyl-1,3-thiazole-4-carboxylic acid
Description:	2-Chloro-5-methylthiazole-4-carboxylic Acid (CAS# 1194374-24-7) is a useful research chemical.
Molecular Weight:	177.61
Molecular Formula:	C5H4ClNO2S
Canonical SMILES:	CC1=C(N=C(S1)Cl)C(=O)O
InChI:	InChI=1S/C5H4ClNO2S/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H,8,9)
InChI Key:	XQOVYTYVLXOMPR-UHFFFAOYSA-N
LogP:	1.80310

Publication Number	Title	Priority Date
JP-2011026305-A	Pharmaceutical composition containing an imidazolecarbonyl compound	20090624
EP-2307394-A2	Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist and pharmaceutical compositions containing the same	20080702
EP-2307394-B1	Sulphonamides as vanilloid receptor antagonist	20080702
US-2011152318-A1	Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist and pharmaceutical compositions containing the same	20080702
WO-2010002209-A2	Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist and pharmaceutical compositions containing the same	20080702

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
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[832741-29-4]
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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.9651272
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.9651272
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2