[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

C69H71N11O6S3 — CID 158196950

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 158196950) has the molecular formula C69H71N11O6S3 and a molecular weight of 1246.60 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
• PubChem CID: 158196950
• Molecular Formula: C69H71N11O6S3
• Molecular Weight: 1246.60 g/mol
• Exact Mass: 1245.48
• IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1nc(-c2ccccc2)sc1C(=O)N1CCC2(CC1)COc1ccc(CN)cc12.Cc1nc(-c2cccnc2)sc1C(=O)N1CCC2(CC1)COc1ccc(CN)cc12.NCc1ccc2c(c1)C1(CCN(C(=O)c3csc(-c4ccncc4)n3)CC1)CO2
• InChI: InChI=1S/C24H25N3O2S.C23H24N4O2S.C22H22N4O2S/c1-16-21(30-22(26-16)18-5-3-2-4-6-18)23(28)27-11-9-24(10-12-27)15-29-20-8-7-17(14-25)13-19(20)24;1-15-20(30-21(26-15)17-3-2-8-25-13-17)22(28)27-9-6-23(7-10-27)14-29-19-5-4-16(12-24)11-18(19)23;23-12-15-1-2-19-17(11-15)22(14-28-19)5-9-26(10-6-22)21(27)18-13-29-20(25-18)16-3-7-24-8-4-16/h2-8,13H,9-12,14-15,25H2,1H3;2-5,8,11,13H,6-7,9-10,12,14,24H2,1H3;1-4,7-8,11,13H,5-6,9-10,12,14,23H2
• InChIKey: GALLCCMIKLLRJF-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 231.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.60
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (CID 158196950) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC2(CC1)COc1ccc(CN)cc12.Cc1nc(-c2cccnc2)sc1C(=O)N1CCC2(CC1)COc1ccc(CN)cc12.NCc1ccc2c(c1)C1(CCN(C(=O)c3csc(-c4ccncc4)n3)CC1)CO2.

What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?

The InChIKey is GALLCCMIKLLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S.C23H24N4O2S.C22H22N4O2S/c1-16-21(30-22(26-16)18-5-3-2-4-6-18)23(28)27-11-9-24(10-12-27)15-29-20-8-7-17(14-25)13-19(20)24;1-15-20(30-21(26-15)17-3-2-8-25-13-17)22(28)27-9-6-23(7-10-27)14-29-19-5-4-16(12-24)11-18(19)23;23-12-15-1-2-19-17(11-15)22(14-28-19)5-9-26(10-6-22)21(27)18-13-29-20(25-18)16-3-7-24-8-4-16/h2-8,13H,9-12,14-15,25H2,1H3;2-5,8,11,13H,6-7,9-10,12,14,24H2,1H3;1-4,7-8,11,13H,5-6,9-10,12,14,23H2.

What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 1246.60 g/mol, XLogP of 10.91, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 158196950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).