3-Methylisothiazol-5-amine - CAS 24340-76-9

Catalog:	BB018420
Product Name:	3-Methylisothiazol-5-amine
CAS:	24340-76-9
Synonyms:	3-methyl-5-isothiazolamine; 3-methyl-1,2-thiazol-5-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-methyl-1,2-thiazol-5-amine
Description:	3-Methylisothiazol-5-amine (CAS# 24340-76-9) is a useful reagent for the synthesis of pyrrolidinyl ureas as potent FPR2 selective agonists for heart failure prevention.
Molecular Weight:	114.17
Molecular Formula:	C4H6N2S
Canonical SMILES:	CC1=NSC(=C1)N
InChI:	InChI=1S/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3
InChI Key:	CQMHIXRPQGPCNT-UHFFFAOYSA-N
Boiling Point:	120.7 °C at 760 mmHg
Density:	1.258 g/cm³
LogP:	1.61490

Publication Number	Title	Priority Date
WO-2021164746-A1	Substituted aryl compound	20200219
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
US-2021323956-A1	Urea compounds and compositions as smarca2/brm atpase inhibitors	20180817
CN-110467615-A	Azolopyrimidines include its pharmaceutical composition and its preparation method and application	20180510

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.02516937
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1