1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

C21H29N5O2S — CID 155985048

About 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 155985048) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• PubChem CID: 155985048
• Molecular Formula: C21H29N5O2S
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.20
• IUPAC Name: 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• SMILES: Cc1cnc(Nc2cccc(C3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1
• InChI: InChI=1S/C21H29N5O2S/c1-16-13-22-21(29-16)24-19-8-6-7-17(23-19)18-14-25(11-12-28-18)15-20(27)26-9-4-2-3-5-10-26/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23,24)
• InChIKey: AVIBCRCELYARGE-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The IUPAC name of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (CID 155985048) is 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The canonical SMILES for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1cnc(Nc2cccc(C3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1.

What is the InChIKey of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The InChIKey is AVIBCRCELYARGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-16-13-22-21(29-16)24-19-8-6-7-17(23-19)18-14-25(11-12-28-18)15-20(27)26-9-4-2-3-5-10-26/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23,24).

What are the key properties of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 415.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 155985048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).