5-Aminothiazolo[4,5-d]pyrimidin-2(3H)-one - CAS 848691-22-5

Catalog:	BB037344
Product Name:	5-Aminothiazolo[4,5-d]pyrimidin-2(3H)-one
CAS:	848691-22-5
Synonyms:	5-amino-3H-thiazolo[4,5-d]pyrimidin-2-one; 5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

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Computed Properties

IUPAC Name:	5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Description:	5-Aminothiazolo[4,5-d]pyrimidin-2(3H)-one (CAS# 848691-22-5 ) is a useful research chemical.
Molecular Weight:	168.18
Molecular Formula:	C5H4N4OS
Canonical SMILES:	C1=C2C(=NC(=N1)N)NC(=O)S2
InChI:	InChI=1S/C5H4N4OS/c6-4-7-1-2-3(8-4)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChI Key:	CGLJYFPRPQWKTN-UHFFFAOYSA-N
LogP:	0.54300

Publication Number	Title	Priority Date
AU-2018205994-A1	Process for the preparation of 3-substituted 5-amino-6H-Thiazolo[4,5-d]Pyrimidine-2,7-Dione Compounds	20170106
BR-112019013884-A2	PROCESS FOR THE PREPARATION OF 5-AMINO -6HÂ´ -THIAZOLO [4,5 -D] PYRIMIDINE -2,7 -DIONA 3 -SUBSTITUTED COMPOUNDS	20170106
CA-3048768-A1	Process for the preparation of 3-substituted 5-amino-6h-thiazolo[4,5-d]pyrimidine-2,7-dione compounds	20170106
EP-3568400-A1	PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED 5-AMINO-6H-THIAZOLO[4,5-d]PYRIMIDINE-2-7-DIONE COMPOUNDS	20170106
JP-2020504126-A	Method for producing 3-position substituted 5-amino-6H-thiazolo [4,5-d] pyrimidine-2,7-dione compound	20170106

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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+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.01058194
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.01058194
Rotatable Bond Count:	0
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1