3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

C23H18FN3OS — CID 58398559

About 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (PubChem CID 58398559) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
• PubChem CID: 58398559
• Molecular Formula: C23H18FN3OS
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.12
• IUPAC Name: 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2cccc(F)c2)cc1Cc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C23H18FN3OS/c1-15-7-8-20(26-23(28)16-4-2-6-19(24)10-16)11-18(15)12-22-27-21(14-29-22)17-5-3-9-25-13-17/h2-11,13-14H,12H2,1H3,(H,26,28)
• InChIKey: OXWAQLQHMAGTTP-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The IUPAC name of 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (CID 58398559) is 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The canonical SMILES for 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(F)c2)cc1Cc1nc(-c2cccnc2)cs1.

What is the InChIKey of 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The InChIKey is OXWAQLQHMAGTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c1-15-7-8-20(26-23(28)16-4-2-6-19(24)10-16)11-18(15)12-22-27-21(14-29-22)17-5-3-9-25-13-17/h2-11,13-14H,12H2,1H3,(H,26,28).

What are the key properties of 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 58398559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).