2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide

C23H19ClN4O4S — CID 20874320

About 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (PubChem CID 20874320) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• PubChem CID: 20874320
• Molecular Formula: C23H19ClN4O4S
• Molecular Weight: 482.95 g/mol
• Exact Mass: 482.08
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1
• InChI: InChI=1S/C23H19ClN4O4S/c24-15-6-8-18(9-7-15)32-13-20(29)25-16-2-1-3-19(10-16)31-12-17-11-21(30)28-23(26-17)33-22(27-28)14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H,25,29)
• InChIKey: ZIPFQACRXKYYSD-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.95
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide (CID 20874320) is 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide?

The InChIKey is ZIPFQACRXKYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c24-15-6-8-18(9-7-15)32-13-20(29)25-16-2-1-3-19(10-16)31-12-17-11-21(30)28-23(26-17)33-22(27-28)14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H,25,29).

What are the key properties of 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide?

2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide has a molecular weight of 482.95 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 20874320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).