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

C21H23F2N5O3S — CID 50833077

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

N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 50833077) has the molecular formula C21H23F2N5O3S and a molecular weight of 463.51 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• PubChem CID: 50833077
• Molecular Formula: C21H23F2N5O3S
• Molecular Weight: 463.51 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• SMILES: CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O
• InChI: InChI=1S/C21H23F2N5O3S/c1-2-6-27-19(30)17-18(25-20(32-17)26-7-4-3-5-8-26)28(21(27)31)12-16(29)24-15-10-13(22)9-14(23)11-15/h9-11H,2-8,12H2,1H3,(H,24,29)
• InChIKey: CCCHOPBEQQPWDC-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.51
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 50833077) is N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

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

The canonical SMILES for N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O.

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

The InChIKey is CCCHOPBEQQPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3S/c1-2-6-27-19(30)17-18(25-20(32-17)26-7-4-3-5-8-26)28(21(27)31)12-16(29)24-15-10-13(22)9-14(23)11-15/h9-11H,2-8,12H2,1H3,(H,24,29).

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

N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 463.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 50833077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).