1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

C191H204F2N34O17S7 — CID 165022832

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3cccnc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C23H24FN3OS.C23H25N3OS.C22H22FN3OS.C22H23N3OS.2C21H22N4O2.C20H23N5O2.C20H22N4O3S2.C19H21N5O4S/c1-15-12-19(24)22-20(13-15)29-23(25-22)27-10-8-26(9-11-27)21(28)14-16-2-4-17(5-3-16)18-6-7-18;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;23-18-2-1-3-19-21(18)24-22(28-19)26-12-10-25(11-13-26)20(27)14-15-4-6-16(7-5-15)17-8-9-17;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-18-2-1-9-22-20(18)27-21;1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-29(26,27)22-16-8-6-15(7-9-16)14-19(25)23-10-12-24(13-11-23)20-21-17-4-2-3-5-18(17)28-20;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18/h2-5,12-13,18H,6-11,14H2,1H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;1-7,17H,8-14H2;1-8,18H,9-15H2;2*1-6,9,17H,7-8,10-14H2;3-9H,10-14H2,1-2H3;2-9,22H,10-14H2,1H3;2-8,22H,9-13H2,1H3
InChIKeyLKXRBJXGJDGVLO-UHFFFAOYSA-N
MW3510.42 g/mol
LogP29.36
Rot. Bonds38

About 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (PubChem CID 165022832) has the molecular formula C191H204F2N34O17S7 and a molecular weight of 3510.42 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
PubChem CID165022832
Molecular FormulaC191H204F2N34O17S7
Molecular Weight3510.42 g/mol
Exact Mass3507.42
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3cccnc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C23H24FN3OS.C23H25N3OS.C22H22FN3OS.C22H23N3OS.2C21H22N4O2.C20H23N5O2.C20H22N4O3S2.C19H21N5O4S/c1-15-12-19(24)22-20(13-15)29-23(25-22)27-10-8-26(9-11-27)21(28)14-16-2-4-17(5-3-16)18-6-7-18;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;23-18-2-1-3-19-21(18)24-22(28-19)26-12-10-25(11-13-26)20(27)14-15-4-6-16(7-5-15)17-8-9-17;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-18-2-1-9-22-20(18)27-21;1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-29(26,27)22-16-8-6-15(7-9-16)14-19(25)23-10-12-24(13-11-23)20-21-17-4-2-3-5-18(17)28-20;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18/h2-5,12-13,18H,6-11,14H2,1H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;1-7,17H,8-14H2;1-8,18H,9-15H2;2*1-6,9,17H,7-8,10-14H2;3-9H,10-14H2,1-2H3;2-9,22H,10-14H2,1H3;2-8,22H,9-13H2,1H3
InChIKeyLKXRBJXGJDGVLO-UHFFFAOYSA-N
XLogP29.36
TPSA527.66 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds38
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003510.42
LogP ≤ 529.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (CID 165022832) is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4o3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)sc2c1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3cccnc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The InChIKey is LKXRBJXGJDGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS.C23H25N3OS.C22H22FN3OS.C22H23N3OS.2C21H22N4O2.C20H23N5O2.C20H22N4O3S2.C19H21N5O4S/c1-15-12-19(24)22-20(13-15)29-23(25-22)27-10-8-26(9-11-27)21(28)14-16-2-4-17(5-3-16)18-6-7-18;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;23-18-2-1-3-19-21(18)24-22(28-19)26-12-10-25(11-13-26)20(27)14-15-4-6-16(7-5-15)17-8-9-17;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-18-2-1-9-22-20(18)27-21;1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-29(26,27)22-16-8-6-15(7-9-16)14-19(25)23-10-12-24(13-11-23)20-21-17-4-2-3-5-18(17)28-20;1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18/h2-5,12-13,18H,6-11,14H2,1H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;1-7,17H,8-14H2;1-8,18H,9-15H2;2*1-6,9,17H,7-8,10-14H2;3-9H,10-14H2,1-2H3;2-9,22H,10-14H2,1H3;2-8,22H,9-13H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide has a molecular weight of 3510.42 g/mol, XLogP of 29.36, 38 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 165022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).