2-Amino-4,5-dimethylthiazole - CAS 2289-75-0

Catalog:	BB017798
Product Name:	2-Amino-4,5-dimethylthiazole
CAS:	2289-75-0
Synonyms:	4,5-dimethyl-2-thiazolamine; 4,5-dimethyl-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4,5-dimethyl-1,3-thiazol-2-amine
Description:	2-Amino-4,5-dimethylthiazole (CAS# 2289-75-0) is a useful research chemical.
Molecular Weight:	128.20
Molecular Formula:	C5H8N2S
Canonical SMILES:	CC1=C(SC(=N1)N)C
InChI:	InChI=1S/C5H8N2S/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
InChI Key:	XMXLBDNVSIHRRA-UHFFFAOYSA-N
Boiling Point:	256.1 °C at 760 mmHg
Density:	1.198 g/cm³
MDL:	MFCD00462425
LogP:	1.92330

Publication Number	Title	Priority Date
WO-2015002894-A1	Purinone compounds as kinase inhibitors	20130702
WO-2014202184-A1	Conjugated polymers	20130621
US-2016137637-A1	2,3-dihydrobenzofuran-5yl compounds as dyrk kinase inhibitors	20130618
WO-2014202638-A1	2,3-dihydrobenzofuran-5-yl compounds as dyrk kinase inhibitors	20130618
US-2015152108-A1	Substituted bridged urea analogs as sirtuin modulators	20130513

PMID	Publication Date	Title	Journal
18477512	20080601	Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase	Bioorganic & medicinal chemistry
16839131	20060721	Assessing the nitrogen and carbon nucleophilicities of 2-aminothiazoles through coupling with superelectrophilic 4,6-dinitrobenzofuroxan	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	86.5
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:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4