1-(4-Thiazolyl)ethylamine - CAS 885279-02-7

Catalog:	BB038948
Product Name:	1-(4-Thiazolyl)ethylamine
CAS:	885279-02-7
Synonyms:	1-(4-thiazolyl)ethanamine; 1-(1,3-thiazol-4-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	1-(1,3-thiazol-4-yl)ethanamine
Description:	1-(4-Thiazolyl)ethylamine (CAS# 885279-02-7) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	128.20
Molecular Formula:	C5H8N2S
Canonical SMILES:	CC(C1=CSC=N1)N
InChI:	InChI=1S/C5H8N2S/c1-4(6)5-2-8-3-7-5/h2-4H,6H2,1H3
InChI Key:	QNBSQSRLKMIEAH-UHFFFAOYSA-N
Appearance:	Off-white solid
LogP:	1.86310

Publication Number	Title	Priority Date
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
US-10689367-B2	Triazole pyridyl compounds as agonists of the APJ receptor	20161116
US-2019300507-A1	Triazole pyridyl compounds as agonists of the apj receptor	20161116
EP-3541803-B1	Triazole pyridyl compounds as agonists of the apj receptor	20161116

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.04081944
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2