N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C26H27FN4OS — CID 55766645

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 55766645) has the molecular formula C26H27FN4OS and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 55766645
• Molecular Formula: C26H27FN4OS
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.19
• IUPAC Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1
• InChI: InChI=1S/C26H27FN4OS/c1-17-6-8-20(9-7-17)26-24(33-18(2)28-26)16-25(32)31(3)14-4-5-22-15-23(30-29-22)19-10-12-21(27)13-11-19/h6-13,15H,4-5,14,16H2,1-3H3,(H,29,30)
• InChIKey: NTCMGDBRLDMWJG-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 55766645) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1.

What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The InChIKey is NTCMGDBRLDMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4OS/c1-17-6-8-20(9-7-17)26-24(33-18(2)28-26)16-25(32)31(3)14-4-5-22-15-23(30-29-22)19-10-12-21(27)13-11-19/h6-13,15H,4-5,14,16H2,1-3H3,(H,29,30).

What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 462.59 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 55766645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).