N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C23H22FN3O2S — CID 55653288

About N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55653288) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

• Compound Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
• PubChem CID: 55653288
• Molecular Formula: C23H22FN3O2S
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.14
• IUPAC Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)C4CC4C)cc3)s2)cc1F
• InChI: InChI=1S/C23H22FN3O2S/c1-13-3-4-15(11-20(13)24)10-18-12-25-23(30-18)27-21(28)16-5-7-17(8-6-16)26-22(29)19-9-14(19)2/h3-8,11-12,14,19H,9-10H2,1-2H3,(H,26,29)(H,25,27,28)
• InChIKey: TZKACQGUULMYCU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?

The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55653288) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?

The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)C4CC4C)cc3)s2)cc1F.

What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?

The InChIKey is TZKACQGUULMYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-13-3-4-15(11-20(13)24)10-18-12-25-23(30-18)27-21(28)16-5-7-17(8-6-16)26-22(29)19-9-14(19)2/h3-8,11-12,14,19H,9-10H2,1-2H3,(H,26,29)(H,25,27,28).

What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 423.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55653288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).