N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C20H24N4O3S — CID 9426119

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 9426119) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 9426119
• Molecular Formula: C20H24N4O3S
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.16
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1csc(N2CCCC2=O)n1
• InChI: InChI=1S/C20H24N4O3S/c1-13-6-4-7-14(2)19(13)22-16(25)11-23(3)18(27)10-15-12-28-20(21-15)24-9-5-8-17(24)26/h4,6-7,12H,5,8-11H2,1-3H3,(H,22,25)
• InChIKey: GSHVULQXWRNCHK-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 9426119) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1csc(N2CCCC2=O)n1.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is GSHVULQXWRNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-6-4-7-14(2)19(13)22-16(25)11-23(3)18(27)10-15-12-28-20(21-15)24-9-5-8-17(24)26/h4,6-7,12H,5,8-11H2,1-3H3,(H,22,25).

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 9426119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).