1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one

C19H21N5O2S — CID 97278566

About 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one

1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 97278566) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
• PubChem CID: 97278566
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
• SMILES: Cn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)ccc1=O
• InChI: InChI=1S/C19H21N5O2S/c1-22-9-15(4-5-17(22)25)19(26)24-7-2-3-14(10-24)18-20-6-8-23(18)11-16-12-27-13-21-16/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3/t14-/m1/s1
• InChIKey: CXSPZPFILZHEPY-CQSZACIVSA-N
• XLogP: 2.11
• TPSA: 73.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?

The IUPAC name of 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one (CID 97278566) is 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one is Cn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)ccc1=O.

What is the InChIKey of 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?

The InChIKey is CXSPZPFILZHEPY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-22-9-15(4-5-17(22)25)19(26)24-7-2-3-14(10-24)18-20-6-8-23(18)11-16-12-27-13-21-16/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3/t14-/m1/s1.

What are the key properties of 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?

1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 383.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 97278566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).