ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate - CAS 76162-56-6

Name: ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
Brand: BOC Sciences
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Catalog:	BB035508
Product Name:	ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
CAS:	76162-56-6
Synonyms:	3-methyl-1,2,4-thiadiazole-5-carboxylic acid ethyl ester; ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
Description:	ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate (CAS# 76162-56-6) is a useful research chemical.
Molecular Weight:	172.202
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	CCOC(=O)C1=NC(=NS1)C
InChI:	InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
InChI Key:	ZYVYMUYJEAVYOC-UHFFFAOYSA-N
LogP:	1.02320

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]C9H9ClN4O3
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]C9H9IN4O3
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020211798-A1	Inhibitor containing bicyclic ring derivative, and preparation method and uses therefor	20190416
CN-112272670-A	Bicyclic derivative-containing inhibitor, preparation method and application thereof	20190416
CN-113302175-A	Bicyclic compounds	20181109
KR-20210108367-A	Bicyclic Compounds	20181109
JP-2010501533-A	Nitrogen-containing heterocyclic compounds useful as M3 receptor modulators	20060821

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03064868
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.03064868
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7