N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide hydrochloride

N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide hydrochloride

CAS: 1001645-58-4

Formula: C25H24ClN7OS

SMILES: Cl.O=C(NC1=CC=CC=C1C1=CN2C(CN3CCNCC3)=CSC2=N1)C1=NC2=CC=CC=C2N=C1

IUPAC: N-(2-{3-[(piperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)quinoxaline-2-carboxamide hydrochloride

InChI: InChI=1S/C25H23N7OS.ClH/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31;/h1-8,13,15-16,26H,9-12,14H2,(H,29,33);1H

Composition: C (59.34%), H (4.78%), Cl (7.01%), N (19.38%), O (3.16%), S (6.34%)

Molar Mass: 506.03

Atom Count: 59

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	505.1451573
Formal Charge	0
FSP3	0.2
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	DTGRRMPPXCRRIM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.01
Topological Polar Surface Area	87.45
Polarizability	52.82
Ring Count	6
Rotatable Bond Count	5

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