3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

Formula: C16H18N4O2S

SMILES: CN1C(=O)CC(N2CCN(CC2)C2=NC3=CC=CC=C3S2)C1=O

IUPAC: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

InChI: InChI=1/C16H18N4O2S/c1-18-14(21)10-12(15(18)22)19-6-8-20(9-7-19)16-17-11-4-2-3-5-13(11)23-16/h2-5,12H,6-10H2,1H3

Composition: C (58.16%), H (5.49%), N (16.96%), O (9.68%), S (9.70%)

Molar Mass: 330.41

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	330.11504701
Formal Charge	0
FSP3	0.44
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	MNOCUZXRMXMOMG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.34
Topological Polar Surface Area	56.75
Polarizability	34.68
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H18N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00