2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C23H16F4N4OS — CID 55791615

About 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 55791615) has the molecular formula C23H16F4N4OS and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 55791615
• Molecular Formula: C23H16F4N4OS
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.10
• IUPAC Name: 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccnc1Nc1cccc(F)c1
• InChI: InChI=1S/C23H16F4N4OS/c24-16-6-2-7-17(12-16)30-20-19(8-3-9-28-20)21(32)31-22-29-13-18(33-22)11-14-4-1-5-15(10-14)23(25,26)27/h1-10,12-13H,11H2,(H,28,30)(H,29,31,32)
• InChIKey: QXEZGLKCQJQDIZ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 55791615) is 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccnc1Nc1cccc(F)c1.

What is the InChIKey of 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is QXEZGLKCQJQDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4OS/c24-16-6-2-7-17(12-16)30-20-19(8-3-9-28-20)21(32)31-22-29-13-18(33-22)11-14-4-1-5-15(10-14)23(25,26)27/h1-10,12-13H,11H2,(H,28,30)(H,29,31,32).

What are the key properties of 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55791615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).