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

C16H14ClFN4O3S — CID 53153171

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

N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (PubChem CID 53153171) has the molecular formula C16H14ClFN4O3S and a molecular weight of 396.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
• PubChem CID: 53153171
• Molecular Formula: C16H14ClFN4O3S
• Molecular Weight: 396.83 g/mol
• Exact Mass: 396.05
• IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
• SMILES: CCCn1c(=O)c2nscc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O
• InChI: InChI=1S/C16H14ClFN4O3S/c1-2-5-21-15(24)14-12(8-26-20-14)22(16(21)25)7-13(23)19-11-4-3-9(17)6-10(11)18/h3-4,6,8H,2,5,7H2,1H3,(H,19,23)
• InChIKey: SQTMETLDIDSFSW-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 85.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.83
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (CID 53153171) is N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.

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

The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is CCCn1c(=O)c2nscc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O.

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

The InChIKey is SQTMETLDIDSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O3S/c1-2-5-21-15(24)14-12(8-26-20-14)22(16(21)25)7-13(23)19-11-4-3-9(17)6-10(11)18/h3-4,6,8H,2,5,7H2,1H3,(H,19,23).

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

N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 396.83 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53153171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).