ethyl 2-(piperazin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(piperazin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

CAS: 1048913-30-9

Formula: C11H14F3N3O2S

SMILES: CCOC(=O)C1=C(N=C(S1)N1CCNCC1)C(F)(F)F

IUPAC: ethyl 2-(piperazin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C11H14F3N3O2S/c1-2-19-9(18)7-8(11(12,13)14)16-10(20-7)17-5-3-15-4-6-17/h15H,2-6H2,1H3

Composition: C (42.72%), H (4.56%), F (18.43%), N (13.59%), O (10.35%), S (10.37%)

Molar Mass: 309.31

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.075882366
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XADDUHHBEZGUSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.08
Topological Polar Surface Area	54.46
Polarizability	25.12
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1048913-30-9		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31