5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

C16H17N3O3S — CID 119126423

About 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119126423) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
• PubChem CID: 119126423
• Molecular Formula: C16H17N3O3S
• Molecular Weight: 331.40 g/mol
• Exact Mass: 331.10
• IUPAC Name: 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
• SMILES: Cc1csc(C2CCCCN2C(=O)c2ccc(C(=O)O)nc2)n1
• InChI: InChI=1S/C16H17N3O3S/c1-10-9-23-14(18-10)13-4-2-3-7-19(13)15(20)11-5-6-12(16(21)22)17-8-11/h5-6,8-9,13H,2-4,7H2,1H3,(H,21,22)
• InChIKey: JEPMPDSPPYRRSJ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 83.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?

The IUPAC name of 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119126423) is 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1csc(C2CCCCN2C(=O)c2ccc(C(=O)O)nc2)n1.

What is the InChIKey of 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?

The InChIKey is JEPMPDSPPYRRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-9-23-14(18-10)13-4-2-3-7-19(13)15(20)11-5-6-12(16(21)22)17-8-11/h5-6,8-9,13H,2-4,7H2,1H3,(H,21,22).

What are the key properties of 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?

5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119126423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).