1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C19H25N3OS — CID 95777652

About 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 95777652) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
• PubChem CID: 95777652
• Molecular Formula: C19H25N3OS
• Molecular Weight: 343.50 g/mol
• Exact Mass: 343.17
• IUPAC Name: 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
• SMILES: CC(C)c1csc([C@H]2CCCN(C(=O)CCc3ccccn3)C2)n1
• InChI: InChI=1S/C19H25N3OS/c1-14(2)17-13-24-19(21-17)15-6-5-11-22(12-15)18(23)9-8-16-7-3-4-10-20-16/h3-4,7,10,13-15H,5-6,8-9,11-12H2,1-2H3/t15-/m0/s1
• InChIKey: BKKSTTAYJZSMCF-HNNXBMFYSA-N
• XLogP: 4.00
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.50
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?

The IUPAC name of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 95777652) is 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

What is the SMILES notation for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?

The canonical SMILES for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is CC(C)c1csc([C@H]2CCCN(C(=O)CCc3ccccn3)C2)n1.

What is the InChIKey of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?

The InChIKey is BKKSTTAYJZSMCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(2)17-13-24-19(21-17)15-6-5-11-22(12-15)18(23)9-8-16-7-3-4-10-20-16/h3-4,7,10,13-15H,5-6,8-9,11-12H2,1-2H3/t15-/m0/s1.

What are the key properties of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?

1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 343.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 95777652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).