2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C18H14F2N6O2S — CID 118346228

About 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 118346228) has the molecular formula C18H14F2N6O2S and a molecular weight of 416.41 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 118346228
• Molecular Formula: C18H14F2N6O2S
• Molecular Weight: 416.41 g/mol
• Exact Mass: 416.09
• IUPAC Name: 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
• SMILES: Cc1nc(-c2cc(-c3cnc(NC(=O)c4c(F)ccc(C)c4F)s3)n(C)n2)no1
• InChI: InChI=1S/C18H14F2N6O2S/c1-8-4-5-10(19)14(15(8)20)17(27)23-18-21-7-13(29-18)12-6-11(24-26(12)3)16-22-9(2)28-25-16/h4-7H,1-3H3,(H,21,23,27)
• InChIKey: PVGNZHJWTUGWQD-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.41
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 118346228) is 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cc1nc(-c2cc(-c3cnc(NC(=O)c4c(F)ccc(C)c4F)s3)n(C)n2)no1.

What is the InChIKey of 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is PVGNZHJWTUGWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2S/c1-8-4-5-10(19)14(15(8)20)17(27)23-18-21-7-13(29-18)12-6-11(24-26(12)3)16-22-9(2)28-25-16/h4-7H,1-3H3,(H,21,23,27).

What are the key properties of 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?

2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 416.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 118346228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).