6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H19N3O2S — CID 125021912

About 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 125021912) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 125021912
• Molecular Formula: C16H19N3O2S
• Molecular Weight: 317.41 g/mol
• Exact Mass: 317.12
• IUPAC Name: 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c(=O)[nH]1
• InChI: InChI=1S/C16H19N3O2S/c1-10-5-6-13(14(20)18-10)16(21)19-7-3-4-12(9-19)15-17-8-11(2)22-15/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)/t12-/m0/s1
• InChIKey: YNFFNUPZYHSIRI-LBPRGKRZSA-N
• XLogP: 2.47
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.41
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 125021912) is 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c(=O)[nH]1.

What is the InChIKey of 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is YNFFNUPZYHSIRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-5-6-13(14(20)18-10)16(21)19-7-3-4-12(9-19)15-17-8-11(2)22-15/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)/t12-/m0/s1.

What are the key properties of 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?

6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 125021912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).