1-methyl-4-{[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl}piperazine

1-methyl-4-{[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl}piperazine

CAS: 439094-28-7

Formula: C16H21N3OS

SMILES: CN1CCN(CC2=CN=C(OC3=CC=C(C)C=C3)S2)CC1

IUPAC: 1-methyl-4-{[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl}piperazine

InChI: InChI=1S/C16H21N3OS/c1-13-3-5-14(6-4-13)20-16-17-11-15(21-16)12-19-9-7-18(2)8-10-19/h3-6,11H,7-10,12H2,1-2H3

Composition: C (63.34%), H (6.98%), N (13.85%), O (5.27%), S (10.57%)

Molar Mass: 303.42

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.140533482
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ASPOBNAWQARVKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.4
Topological Polar Surface Area	28.6
Polarizability	33.58
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	439094-28-7		$51.35-$86.31$51.35$63.37$86.31