2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H22N4O2S — CID 86855910

About 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 86855910) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• PubChem CID: 86855910
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• SMILES: Cc1nc(CN(C)CC(=O)Nc2ccccc2N2CCCC2=O)cs1
• InChI: InChI=1S/C18H22N4O2S/c1-13-19-14(12-25-13)10-21(2)11-17(23)20-15-6-3-4-7-16(15)22-9-5-8-18(22)24/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,23)
• InChIKey: MODDNKPIGZXTBF-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 86855910) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1nc(CN(C)CC(=O)Nc2ccccc2N2CCCC2=O)cs1.

What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The InChIKey is MODDNKPIGZXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-19-14(12-25-13)10-21(2)11-17(23)20-15-6-3-4-7-16(15)22-9-5-8-18(22)24/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,23).

What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 86855910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).