N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C18H19F2N3O2S — CID 42065655

About N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42065655) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• PubChem CID: 42065655
• Molecular Formula: C18H19F2N3O2S
• Molecular Weight: 379.43 g/mol
• Exact Mass: 379.12
• IUPAC Name: N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• SMILES: CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1c(F)cccc1F
• InChI: InChI=1S/C18H19F2N3O2S/c1-10(2)15-7-17(25)23-11(9-26-18(23)22-15)6-16(24)21-8-12-13(19)4-3-5-14(12)20/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,21,24)/t11-/m1/s1
• InChIKey: FYSXYGFZFUXFKA-LLVKDONJSA-N
• XLogP: 3.00
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.43
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42065655) is N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1c(F)cccc1F.

What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The InChIKey is FYSXYGFZFUXFKA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-10(2)15-7-17(25)23-11(9-26-18(23)22-15)6-16(24)21-8-12-13(19)4-3-5-14(12)20/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,21,24)/t11-/m1/s1.

What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42065655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).