methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C17H16F3N4O2S+ — CID 9286316

About methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9286316) has the molecular formula C17H16F3N4O2S+ and a molecular weight of 397.40 g/mol. Its IUPAC name is methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
• PubChem CID: 9286316
• Molecular Formula: C17H16F3N4O2S+
• Molecular Weight: 397.40 g/mol
• Exact Mass: 397.09
• IUPAC Name: methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
• SMILES: C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C17H15F3N4O2S/c1-23(9-11-8-15(26)24-6-7-27-16(24)21-11)10-14(25)22-13-5-3-2-4-12(13)17(18,19)20/h2-8H,9-10H2,1H3,(H,22,25)/p+1
• InChIKey: PSQNRZMRNVGUCA-UHFFFAOYSA-O
• XLogP: 1.43
• TPSA: 67.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.40
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?

The IUPAC name of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9286316) is methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

What is the SMILES notation for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?

The canonical SMILES for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2ccsc2n1.

What is the InChIKey of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?

The InChIKey is PSQNRZMRNVGUCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15F3N4O2S/c1-23(9-11-8-15(26)24-6-7-27-16(24)21-11)10-14(25)22-13-5-3-2-4-12(13)17(18,19)20/h2-8H,9-10H2,1H3,(H,22,25)/p+1.

What are the key properties of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?

methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 397.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9286316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).