5-Aminothiazole - CAS 17721-00-5

Catalog:	BB013277
Product Name:	5-Aminothiazole
CAS:	17721-00-5
Synonyms:	5-thiazolamine; 1,3-thiazol-5-amine

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Computed Properties

IUPAC Name:	1,3-thiazol-5-amine
Description:	5-Aminothiazole (CAS# 17721-00-5) is a useful research chemical.
Molecular Weight:	100.14
Molecular Formula:	C3H4N2S
Canonical SMILES:	C1=C(SC=N1)N
InChI:	InChI=1S/C3H4N2S/c4-3-1-5-2-6-3/h1-2H,4H2
InChI Key:	LKFXYYLRIUSARI-UHFFFAOYSA-N
Boiling Point:	239.3 °C at 760 mmHg
Density:	1.345 g/cm³
LogP:	1.30650

Publication Number	Title	Priority Date
CN-113461636-A	Benzothiazole-containing phenylalanine derivative and preparation method and application thereof	20210604
CN-111646987-A	5-aminothiazole non-steroidal anti-inflammatory compound and preparation method and application thereof	20200605
CN-110993614-A	Display panel preparation device and method	20191127
CN-112759549-A	3-substituted amino-4- ((substituted pyridyl) amino) cyclobut-3-ene-1, 2-diones	20191105
KR-20210027860-A	pyrimidinecarboxamide derivatives and pharmaceutical compositions thereof	20190903

PMID	Publication Date	Title	Journal
19705810	20090918	Ugi reactions with ammonia offer rapid access to a wide range of 5-aminothiazole and oxazole derivatives	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.00951931
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.00951931
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6