1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone

C17H11ClF3N3OS — CID 148918246

About 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone

1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone (PubChem CID 148918246) has the molecular formula C17H11ClF3N3OS and a molecular weight of 397.81 g/mol. Its IUPAC name is 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
• PubChem CID: 148918246
• Molecular Formula: C17H11ClF3N3OS
• Molecular Weight: 397.81 g/mol
• Exact Mass: 397.03
• IUPAC Name: 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
• SMILES: Cc1ccc(-c2csc(CC(=O)c3cnc(Cl)cn3)n2)cc1C(F)(F)F
• InChI: InChI=1S/C17H11ClF3N3OS/c1-9-2-3-10(4-11(9)17(19,20)21)13-8-26-16(24-13)5-14(25)12-6-23-15(18)7-22-12/h2-4,6-8H,5H2,1H3
• InChIKey: PJZUPCODFSLLIS-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 55.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.81
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The IUPAC name of 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone (CID 148918246) is 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone.

What is the SMILES notation for 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The canonical SMILES for 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone is Cc1ccc(-c2csc(CC(=O)c3cnc(Cl)cn3)n2)cc1C(F)(F)F.

What is the InChIKey of 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

The InChIKey is PJZUPCODFSLLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3OS/c1-9-2-3-10(4-11(9)17(19,20)21)13-8-26-16(24-13)5-14(25)12-6-23-15(18)7-22-12/h2-4,6-8H,5H2,1H3.

What are the key properties of 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone?

1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone has a molecular weight of 397.81 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 148918246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).