2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C19H25N3OS — CID 95777723

About 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95777723) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 95777723
• Molecular Formula: C19H25N3OS
• Molecular Weight: 343.50 g/mol
• Exact Mass: 343.17
• IUPAC Name: 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
• SMILES: Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)cn1
• InChI: InChI=1S/C19H25N3OS/c1-13(2)17-12-24-19(21-17)16-5-4-8-22(11-16)18(23)9-15-7-6-14(3)20-10-15/h6-7,10,12-13,16H,4-5,8-9,11H2,1-3H3/t16-/m0/s1
• InChIKey: LALOBYVSVNVWTQ-INIZCTEOSA-N
• XLogP: 3.92
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95777723) is 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)cn1.

What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?

The InChIKey is LALOBYVSVNVWTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13(2)17-12-24-19(21-17)16-5-4-8-22(11-16)18(23)9-15-7-6-14(3)20-10-15/h6-7,10,12-13,16H,4-5,8-9,11H2,1-3H3/t16-/m0/s1.

What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?

2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 343.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95777723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).