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6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid - CAS 77628-51-4

Catalog:	BB035998
Product Name:	6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CAS:	77628-51-4
Synonyms:	6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Description:	6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CAS# 77628-51-4) is a useful research chemical.
Molecular Weight:	182.20
Molecular Formula:	C7H6N2O2S
Canonical SMILES:	CC1=C(N2C=CSC2=N1)C(=O)O
InChI:	InChI=1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChI Key:	VSQMBZXCDDTZAF-UHFFFAOYSA-N
Melting Point:	164 °C
Purity:	95 %
Density:	1.62 g/cm³
MDL:	MFCD02083132
LogP:	1.40240

Publication Number	Title	Priority Date
US-2020102303-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
TW-202028198-A	Monoacylglycerol lipase modulators	20180928
KR-20210069080-A	monoacylglycerol lipase modulator	20180928
CA-3026010-A1	Heterocyclic compounds as antibacterials	20160616

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Related Functional Groups

Nitrogen Compounds

[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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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:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.01499861
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.01499861
Rotatable Bond Count:	1
Topological Polar Surface Area:	82.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1