2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

C22H31N5OS — CID 110095213

About 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110095213) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 110095213
• Molecular Formula: C22H31N5OS
• Molecular Weight: 413.59 g/mol
• Exact Mass: 413.22
• IUPAC Name: 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
• SMILES: Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1
• InChI: InChI=1S/C22H31N5OS/c1-15-14-23-22(29-15)26-20-13-19(24-16(2)25-20)18-8-10-27(11-9-18)21(28)12-17-6-4-3-5-7-17/h13-14,17-18H,3-12H2,1-2H3,(H,23,24,25,26)
• InChIKey: VHSYWRMILQFDFG-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.59
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110095213) is 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1.

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

The InChIKey is VHSYWRMILQFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c1-15-14-23-22(29-15)26-20-13-19(24-16(2)25-20)18-8-10-27(11-9-18)21(28)12-17-6-4-3-5-7-17/h13-14,17-18H,3-12H2,1-2H3,(H,23,24,25,26).

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

2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 413.59 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110095213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).