[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone

C49H53ClN8O2S2 — CID 66899710

About [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone

[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 66899710) has the molecular formula C49H53ClN8O2S2 and a molecular weight of 885.60 g/mol. Its IUPAC name is [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

• Compound Name: [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
• PubChem CID: 66899710
• Molecular Formula: C49H53ClN8O2S2
• Molecular Weight: 885.60 g/mol
• Exact Mass: 884.34
• IUPAC Name: [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
• SMILES: Cc1cccc(NCC2CC3(CCN2C(=O)c2nc(C)sc2-c2ccccc2)CC3)n1.Cc1nc(C(=O)N2CCC3(CC3)CC2CNc2ccc(Cl)cn2)c(-c2ccccc2)s1
• InChI: InChI=1S/C25H28N4OS.C24H25ClN4OS/c1-17-7-6-10-21(27-17)26-16-20-15-25(11-12-25)13-14-29(20)24(30)22-23(31-18(2)28-22)19-8-4-3-5-9-19;1-16-28-21(22(31-16)17-5-3-2-4-6-17)23(30)29-12-11-24(9-10-24)13-19(29)15-27-20-8-7-18(25)14-26-20/h3-10,20H,11-16H2,1-2H3,(H,26,27);2-8,14,19H,9-13,15H2,1H3,(H,26,27)
• InChIKey: KVFNTFHTTVCEEG-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.60
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The IUPAC name of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone (CID 66899710) is [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone.

What is the SMILES notation for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The canonical SMILES for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone is Cc1cccc(NCC2CC3(CCN2C(=O)c2nc(C)sc2-c2ccccc2)CC3)n1.Cc1nc(C(=O)N2CCC3(CC3)CC2CNc2ccc(Cl)cn2)c(-c2ccccc2)s1.

What is the InChIKey of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The InChIKey is KVFNTFHTTVCEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS.C24H25ClN4OS/c1-17-7-6-10-21(27-17)26-16-20-15-25(11-12-25)13-14-29(20)24(30)22-23(31-18(2)28-22)19-8-4-3-5-9-19;1-16-28-21(22(31-16)17-5-3-2-4-6-17)23(30)29-12-11-24(9-10-24)13-19(29)15-27-20-8-7-18(25)14-26-20/h3-10,20H,11-16H2,1-2H3,(H,26,27);2-8,14,19H,9-13,15H2,1H3,(H,26,27).

What are the key properties of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone?

[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 885.60 g/mol, XLogP of 10.98, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 66899710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).