N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C21H23N5O4S — CID 135886894

About N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135886894) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135886894
• Molecular Formula: C21H23N5O4S
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.15
• IUPAC Name: N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(N2CCCC2=O)n1
• InChI: InChI=1S/C21H23N5O4S/c1-30-10-9-25(12-17-23-16-6-3-2-5-15(16)20(29)24-17)19(28)11-14-13-31-21(22-14)26-8-4-7-18(26)27/h2-3,5-6,13H,4,7-12H2,1H3,(H,23,24,29)
• InChIKey: SHRCXJBDTXQNTF-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135886894) is N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(N2CCCC2=O)n1.

What is the InChIKey of N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is SHRCXJBDTXQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-30-10-9-25(12-17-23-16-6-3-2-5-15(16)20(29)24-17)19(28)11-14-13-31-21(22-14)26-8-4-7-18(26)27/h2-3,5-6,13H,4,7-12H2,1H3,(H,23,24,29).

What are the key properties of N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135886894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).