N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide

C22H22FN3O2S — CID 86974498

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 86974498) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
• PubChem CID: 86974498
• Molecular Formula: C22H22FN3O2S
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
• SMILES: O=C(/N=c1\sccn1Cc1ccccc1F)c1ccc(N2CCC(O)CC2)cc1
• InChI: InChI=1S/C22H22FN3O2S/c23-20-4-2-1-3-17(20)15-26-13-14-29-22(26)24-21(28)16-5-7-18(8-6-16)25-11-9-19(27)10-12-25/h1-8,13-14,19,27H,9-12,15H2/b24-22-
• InChIKey: SSSSNQUUGVNRHU-GYHWCHFESA-N
• XLogP: 3.44
• TPSA: 57.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide?

The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 86974498) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide.

What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide?

The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide is O=C(/N=c1\sccn1Cc1ccccc1F)c1ccc(N2CCC(O)CC2)cc1.

What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide?

The InChIKey is SSSSNQUUGVNRHU-GYHWCHFESA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-20-4-2-1-3-17(20)15-26-13-14-29-22(26)24-21(28)16-5-7-18(8-6-16)25-11-9-19(27)10-12-25/h1-8,13-14,19,27H,9-12,15H2/b24-22-.

What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide?

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 86974498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).