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

C16H21N5OS — CID 155985320

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

1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 155985320) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 155985320
• Molecular Formula: C16H21N5OS
• Molecular Weight: 331.45 g/mol
• Exact Mass: 331.15
• IUPAC Name: 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(c2nc(C)cc(Nc3ncc(C)s3)n2)C1
• InChI: InChI=1S/C16H21N5OS/c1-10-7-14(20-16-17-8-11(2)23-16)19-15(18-10)13-5-4-6-21(9-13)12(3)22/h7-8,13H,4-6,9H2,1-3H3,(H,17,18,19,20)
• InChIKey: GHDFRIQFSQTUME-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.45
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 155985320) is 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(C)cc(Nc3ncc(C)s3)n2)C1.

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

The InChIKey is GHDFRIQFSQTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-7-14(20-16-17-8-11(2)23-16)19-15(18-10)13-5-4-6-21(9-13)12(3)22/h7-8,13H,4-6,9H2,1-3H3,(H,17,18,19,20).

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

1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155985320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).