N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C21H24ClN5O3S — CID 50833493

About N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 50833493) has the molecular formula C21H24ClN5O3S and a molecular weight of 461.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• PubChem CID: 50833493
• Molecular Formula: C21H24ClN5O3S
• Molecular Weight: 461.98 g/mol
• Exact Mass: 461.13
• IUPAC Name: N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• SMILES: CC(C)n1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2Cl)c1=O
• InChI: InChI=1S/C21H24ClN5O3S/c1-13(2)27-19(29)17-18(24-20(31-17)25-10-6-3-7-11-25)26(21(27)30)12-16(28)23-15-9-5-4-8-14(15)22/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,23,28)
• InChIKey: FAMQZQITOPHTHU-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.98
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 50833493) is N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is CC(C)n1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2Cl)c1=O.

What is the InChIKey of N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The InChIKey is FAMQZQITOPHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3S/c1-13(2)27-19(29)17-18(24-20(31-17)25-10-6-3-7-11-25)26(21(27)30)12-16(28)23-15-9-5-4-8-14(15)22/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,23,28).

What are the key properties of N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 461.98 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 50833493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).