N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C21H17ClN4O2S — CID 46671691

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46671691) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
• PubChem CID: 46671691
• Molecular Formula: C21H17ClN4O2S
• Molecular Weight: 424.91 g/mol
• Exact Mass: 424.08
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
• SMILES: Cc1cccc2c(=O)n(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)cnc12
• InChI: InChI=1S/C21H17ClN4O2S/c1-13-5-4-7-16-19(13)24-12-26(20(16)28)11-18(27)25-21-23-10-15(29-21)9-14-6-2-3-8-17(14)22/h2-8,10,12H,9,11H2,1H3,(H,23,25,27)
• InChIKey: DETLKJLNAJKMQD-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.91
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 46671691) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)cnc12.

What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?

The InChIKey is DETLKJLNAJKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-13-5-4-7-16-19(13)24-12-26(20(16)28)11-18(27)25-21-23-10-15(29-21)9-14-6-2-3-8-17(14)22/h2-8,10,12H,9,11H2,1H3,(H,23,25,27).

What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46671691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).