2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C15H26N4OS — CID 91844135

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91844135) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
• PubChem CID: 91844135
• Molecular Formula: C15H26N4OS
• Molecular Weight: 310.47 g/mol
• Exact Mass: 310.18
• IUPAC Name: 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
• SMILES: CCc1nc(C)sc1CNC(=O)CN1CCC(N(C)C)C1
• InChI: InChI=1S/C15H26N4OS/c1-5-13-14(21-11(2)17-13)8-16-15(20)10-19-7-6-12(9-19)18(3)4/h12H,5-10H2,1-4H3,(H,16,20)
• InChIKey: GOSZXMFBEKXFIY-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.47
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?

The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91844135) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?

The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is CCc1nc(C)sc1CNC(=O)CN1CCC(N(C)C)C1.

What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?

The InChIKey is GOSZXMFBEKXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-13-14(21-11(2)17-13)8-16-15(20)10-19-7-6-12(9-19)18(3)4/h12H,5-10H2,1-4H3,(H,16,20).

What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 310.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91844135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).