sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide

C18H10F5N2NaOS — CID 59004553

About sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide

sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide (PubChem CID 59004553) has the molecular formula C18H10F5N2NaOS and a molecular weight of 420.34 g/mol. Its IUPAC name is sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide.

Molecular Properties

• Compound Name: sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide
• PubChem CID: 59004553
• Molecular Formula: C18H10F5N2NaOS
• Molecular Weight: 420.34 g/mol
• Exact Mass: 420.03
• IUPAC Name: sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide
• SMILES: Cc1nc([N-]C(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.[Na+]
• InChI: InChI=1S/C18H11F5N2OS.Na/c1-9-15(10-4-2-5-11(8-10)18(21,22)23)27-17(24-9)25-16(26)14-12(19)6-3-7-13(14)20;/h2-8H,1H3,(H,24,25,26);/q;+1/p-1
• InChIKey: WQRBOENCMVUGFG-UHFFFAOYSA-M
• XLogP: 3.27
• TPSA: 44.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.34
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide?

The IUPAC name of sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide (CID 59004553) is sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide.

What is the SMILES notation for sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide?

The canonical SMILES for sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide is Cc1nc([N-]C(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.[Na+].

What is the InChIKey of sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide?

The InChIKey is WQRBOENCMVUGFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H11F5N2OS.Na/c1-9-15(10-4-2-5-11(8-10)18(21,22)23)27-17(24-9)25-16(26)14-12(19)6-3-7-13(14)20;/h2-8H,1H3,(H,24,25,26);/q;+1/p-1.

What are the key properties of sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide?

sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide has a molecular weight of 420.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for sodium (2,6-difluorobenzoyl)-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]azanide is sourced from PubChem (CID 59004553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).