2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol

C21H25N5OS — CID 58707155

About 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol

2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol (PubChem CID 58707155) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol
• PubChem CID: 58707155
• Molecular Formula: C21H25N5OS
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.18
• IUPAC Name: 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(CCO)CC4)s3)n2)c1
• InChI: InChI=1S/C21H25N5OS/c1-15-5-9-22-20(13-15)25-19-4-2-3-17(24-19)18-14-23-21(28-18)26-10-6-16(7-11-26)8-12-27/h2-5,9,13-14,16,27H,6-8,10-12H2,1H3,(H,22,24,25)
• InChIKey: GXQLZZCNUNNJQE-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 74.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol (CID 58707155) is 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol.

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

The canonical SMILES for 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(CCO)CC4)s3)n2)c1.

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

The InChIKey is GXQLZZCNUNNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-5-9-22-20(13-15)25-19-4-2-3-17(24-19)18-14-23-21(28-18)26-10-6-16(7-11-26)8-12-27/h2-5,9,13-14,16,27H,6-8,10-12H2,1H3,(H,22,24,25).

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

2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol has a molecular weight of 395.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 58707155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).