methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate

methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate

CAS: 338422-53-0

Formula: C12H16N4O2S

SMILES: CNC1=C(C#N)C(=NS1)N1CCC(CC1)C(=O)OC

IUPAC: methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate

InChI: InChI=1S/C12H16N4O2S/c1-14-11-9(7-13)10(15-19-11)16-5-3-8(4-6-16)12(17)18-2/h8,14H,3-6H2,1-2H3

Composition: C (51.41%), H (5.75%), N (19.99%), O (11.41%), S (11.44%)

Molar Mass: 280.35

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.099396945
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FIKDDHFFVMRVQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.97
Topological Polar Surface Area	78.25
Polarizability	27.07
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	338422-53-0		$51.35-$524.40$51.35$63.37$86.31$524.40