2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide

C23H17F2N3O2S — CID 90145530

About 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 90145530) has the molecular formula C23H17F2N3O2S and a molecular weight of 437.47 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 90145530
• Molecular Formula: C23H17F2N3O2S
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.10
• IUPAC Name: 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: Cc1cccc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C(O)c2ccccn2)c1
• InChI: InChI=1S/C23H17F2N3O2S/c1-13-6-4-7-14(12-13)21-19(20(29)17-10-2-3-11-26-17)27-23(31-21)28-22(30)18-15(24)8-5-9-16(18)25/h2-12,20,29H,1H3,(H,27,28,30)
• InChIKey: CEBYPUFQHYNZHN-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 90145530) is 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cccc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C(O)c2ccccn2)c1.

What is the InChIKey of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is CEBYPUFQHYNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2S/c1-13-6-4-7-14(12-13)21-19(20(29)17-10-2-3-11-26-17)27-23(31-21)28-22(30)18-15(24)8-5-9-16(18)25/h2-12,20,29H,1H3,(H,27,28,30).

What are the key properties of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 437.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 90145530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).