2-Aminothiazole-5-carbonitrile - CAS 51640-52-9

Catalog:	BB027530
Product Name:	2-Aminothiazole-5-carbonitrile
CAS:	51640-52-9
Synonyms:	2-amino-1,3-thiazole-5-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-1,3-thiazole-5-carbonitrile
Description:	2-Aminothiazole-5-carbonitrile (CAS# 51640-52-9) is a useful research chemical.
Molecular Weight:	125.15
Molecular Formula:	C4H3N3S
Canonical SMILES:	C1=C(SC(=N1)N)C#N
InChI:	InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChI Key:	YJTBHWXNEMGNDC-UHFFFAOYSA-N
Boiling Point:	330.4 °C at 760 mmHg
Melting Point:	185-187 °C
Purity:	97 %
Density:	1.45 g/cm³
Appearance:	Solid
Storage:	Keep Cold
MDL:	MFCD08275724
LogP:	1.17818

Publication Number	Title	Priority Date
WO-2020108613-A1	Heteroaromatic derivatives for use as regulator, preparation method therefor and use thereof	20181130
CN-111511738-A	Heteroaromatic derivative regulator, preparation method and application thereof	20181130
TW-202033519-A	Heteroaromatic derivative regulator, its preparation method and application	20181130
EP-3889152-A1	Heteroaromatic derivatives for use as regulator, preparation method therefor and use thereof	20181130
KR-20200032002-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[3973-08-8]
4-Thiazolecarboxylic acid
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[1072145-33-5]
ERRα antagonist-1

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.00476828
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.00476828
Rotatable Bond Count:	0
Topological Polar Surface Area:	90.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7