N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C19H15F2N5O2S — CID 56552811

About N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56552811) has the molecular formula C19H15F2N5O2S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
• PubChem CID: 56552811
• Molecular Formula: C19H15F2N5O2S
• Molecular Weight: 415.43 g/mol
• Exact Mass: 415.09
• IUPAC Name: N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
• SMILES: Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)cs1
• InChI: InChI=1S/C19H15F2N5O2S/c1-9-11(10(2)26-15(22-9)7-17(28)25-26)6-16(27)24-19-23-14(8-29-19)18-12(20)4-3-5-13(18)21/h3-5,7-8H,6H2,1-2H3,(H,25,28)(H,23,24,27)
• InChIKey: VYNFQUZDQIQLJU-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56552811) is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

What is the SMILES notation for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The canonical SMILES for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)cs1.

What is the InChIKey of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The InChIKey is VYNFQUZDQIQLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S/c1-9-11(10(2)26-15(22-9)7-17(28)25-26)6-16(27)24-19-23-14(8-29-19)18-12(20)4-3-5-13(18)21/h3-5,7-8H,6H2,1-2H3,(H,25,28)(H,23,24,27).

What are the key properties of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 415.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56552811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).