2-Amino-4-tert-butylthiazole-5-carbonitrile - CAS 303994-99-2

Name: 2-Amino-4-tert-butylthiazole-5-carbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB054665
Product Name:	2-Amino-4-tert-butylthiazole-5-carbonitrile
CAS:	303994-99-2
Synonyms:	2-Amino-5-cyano-4-[(1,1-dimethyl)ethyl]thiazole; 5-Thiazolecarbonitrile, 2-amino-4-(1,1-dimethylethyl)-; 2-Amino-4-(1,1-dimethylethyl)-5-thiazolecarbonitrile; 2-Amino-4-(2-methyl-2-propanyl)-1,3-thiazole-5-carbonitrile

Technical Data

Computed Properties

IUPAC Name:	2-amino-4-tert-butyl-1,3-thiazole-5-carbonitrile
Molecular Weight:	181.26
Molecular Formula:	C8H11N3S
Canonical SMILES:	CC(C)(C)C1=C(SC(=N1)N)C#N
InChI:	InChI=1S/C8H11N3S/c1-8(2,3)6-5(4-9)12-7(10)11-6/h1-3H3,(H2,10,11)
InChI Key:	SDNYSLVRFRAKGO-UHFFFAOYSA-N
Boiling Point:	344.0±22.0°C at 760 mmHg
Melting Point:	189-191°C
Purity:	≥95%
Density:	1.2±0.1 g/cm3

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Related Functional Groups

Amines and Anilines

[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[105512-81-0]C9H7BrN2S
2-Amino-4-(3-bromophenyl)thiazole

Oxazole/Thiazole

[120740-06-9]C5H7ClN2S
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[852227-91-9]C11H13ClN2O
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[885681-46-9]C14H15NO3S
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[19749-93-0]C9H11ClN2O3S
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[132089-38-4]C12H9Cl2NO2S
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate
[886497-58-1]C12H15F3N2O2S
Ethyl 2-(cyclopentylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.06736854
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.06736854
Rotatable Bond Count:	1
Topological Polar Surface Area:	90.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4