2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

C17H23N5O2S — CID 97277457

About 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97277457) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
• PubChem CID: 97277457
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
• SMILES: Cc1ncsc1CCC(=O)N1CCC[C@@H](c2nccn2CC(N)=O)C1
• InChI: InChI=1S/C17H23N5O2S/c1-12-14(25-11-20-12)4-5-16(24)21-7-2-3-13(9-21)17-19-6-8-22(17)10-15(18)23/h6,8,11,13H,2-5,7,9-10H2,1H3,(H2,18,23)/t13-/m1/s1
• InChIKey: JXRAXJZKZYKILW-CYBMUJFWSA-N
• XLogP: 1.47
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?

The IUPAC name of 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97277457) is 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.

What is the SMILES notation for 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?

The canonical SMILES for 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is Cc1ncsc1CCC(=O)N1CCC[C@@H](c2nccn2CC(N)=O)C1.

What is the InChIKey of 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?

The InChIKey is JXRAXJZKZYKILW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-14(25-11-20-12)4-5-16(24)21-7-2-3-13(9-21)17-19-6-8-22(17)10-15(18)23/h6,8,11,13H,2-5,7,9-10H2,1H3,(H2,18,23)/t13-/m1/s1.

What are the key properties of 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?

2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97277457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).