2-(piperazin-1-yl)-1,3-benzothiazole

2-(piperazin-1-yl)-1,3-benzothiazole

CAS: 55745-83-0

Formula: C11H13N3S

SMILES: C1CN(CCN1)C1=NC2=CC=CC=C2S1

IUPAC: 2-(piperazin-1-yl)-1,3-benzothiazole

InChI: InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2

Composition: C (60.25%), H (5.98%), N (19.16%), S (14.62%)

Molar Mass: 219.31

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.083018605
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LLQMZXMBCQNMJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.79
Topological Polar Surface Area	28.16
Polarizability	24.92
Ring Count	3
Rotatable Bond Count	1

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