3-methyl-1,2,4-thiadiazol-5-amine - CAS 17467-35-5

Catalog:	BB013035
Product Name:	3-methyl-1,2,4-thiadiazol-5-amine
CAS:	17467-35-5
Synonyms:	3-methyl-1,2,4-thiadiazol-5-amine; 3-methyl-1,2,4-thiadiazol-5-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methyl-1,2,4-thiadiazol-5-amine
Description:	3-methyl-1,2,4-thiadiazol-5-amine (CAS# 17467-35-5) is a useful intermediate used in the preparation of 1,2,4-thiadiazole analogue that functions as a non-peptide inhibitor of beta-secretase.
Molecular Weight:	115.154
Molecular Formula:	C3H5N3S
Canonical SMILES:	CC1=NSC(=N1)N
InChI:	InChI=1S/C3H5N3S/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)
InChI Key:	DJKUIGPCSNRFRK-UHFFFAOYSA-N
Boiling Point:	261.2 °C at 760 mmHg
Density:	1.372 g/cm³
MDL:	MFCD01114751
LogP:	1.00990

Publication Number	Title	Priority Date
CN-111635377-A	Thiadiazole compound and synthesis method thereof	20200630
CN-112279853-A	Selective JAK1 inhibitor compound and preparation method and application thereof	20190723
WO-2020128003-A1	SYNTHESIS OF 3-METHYL-1,2,4-THIADIAZOLE-5-CARBOHYDRAZIDE OR OF THE METHYL-d3 DEUTERATED FORM THEREOF	20181221
KR-20210106528-A	Synthesis of 3-methyl-1,2,4-thiadiazole-5-carbohydrazide or its methyl-d3 deuterated form	20181221
AU-2018238079-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324

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Related Functional Groups

Oxadiazole/Thiadiazole

[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[76162-56-6]
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
[4970-53-0]
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
[55983-96-5]
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine

GHS Hazard Statement:	H302 (99.22%): 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:	67.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.02041835
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.02041835
Rotatable Bond Count:	0
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9