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

C23H21FN4O3S — CID 135854773

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135854773) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135854773
• Molecular Formula: C23H21FN4O3S
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.13
• IUPAC Name: 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C23H21FN4O3S/c1-31-11-10-28(13-20-26-19-5-3-2-4-18(19)22(30)27-20)21(29)12-17-14-32-23(25-17)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,26,27,30)
• InChIKey: DDRWIWGBHVXURT-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135854773) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(F)cc2)n1.

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

The InChIKey is DDRWIWGBHVXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-31-11-10-28(13-20-26-19-5-3-2-4-18(19)22(30)27-20)21(29)12-17-14-32-23(25-17)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,26,27,30).

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

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135854773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).