N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C22H17F4N5O2S — CID 67325366

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67325366) has the molecular formula C22H17F4N5O2S and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
• PubChem CID: 67325366
• Molecular Formula: C22H17F4N5O2S
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.10
• IUPAC Name: N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
• SMILES: CC(C)(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1csc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C22H17F4N5O2S/c1-21(2,16-10-34-19(29-16)12-3-5-15(23)6-4-12)11-28-18(32)14-7-13(8-27-9-14)17-30-20(33-31-17)22(24,25)26/h3-10H,11H2,1-2H3,(H,28,32)
• InChIKey: XDSJYPZLWYZLLB-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67325366) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is CC(C)(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1csc(-c2ccc(F)cc2)n1.

What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?

The InChIKey is XDSJYPZLWYZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2S/c1-21(2,16-10-34-19(29-16)12-3-5-15(23)6-4-12)11-28-18(32)14-7-13(8-27-9-14)17-30-20(33-31-17)22(24,25)26/h3-10H,11H2,1-2H3,(H,28,32).

What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67325366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).