3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

C20H28N4O2S2 — CID 42933436

About 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 42933436) has the molecular formula C20H28N4O2S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
• PubChem CID: 42933436
• Molecular Formula: C20H28N4O2S2
• Molecular Weight: 420.60 g/mol
• Exact Mass: 420.17
• IUPAC Name: 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
• SMILES: CC(=O)NC(CC(=O)Nc1nc(CN2CC(C)CC(C)C2)cs1)c1cccs1
• InChI: InChI=1S/C20H28N4O2S2/c1-13-7-14(2)10-24(9-13)11-16-12-28-20(22-16)23-19(26)8-17(21-15(3)25)18-5-4-6-27-18/h4-6,12-14,17H,7-11H2,1-3H3,(H,21,25)(H,22,23,26)
• InChIKey: AYJZHFHGXPLLDY-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.60
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?

The IUPAC name of 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (CID 42933436) is 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

What is the SMILES notation for 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?

The canonical SMILES for 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1nc(CN2CC(C)CC(C)C2)cs1)c1cccs1.

What is the InChIKey of 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?

The InChIKey is AYJZHFHGXPLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S2/c1-13-7-14(2)10-24(9-13)11-16-12-28-20(22-16)23-19(26)8-17(21-15(3)25)18-5-4-6-27-18/h4-6,12-14,17H,7-11H2,1-3H3,(H,21,25)(H,22,23,26).

What are the key properties of 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?

3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 420.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42933436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).