2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide

C24H22ClFN4O2S — CID 55953733

About 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55953733) has the molecular formula C24H22ClFN4O2S and a molecular weight of 484.98 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 55953733
• Molecular Formula: C24H22ClFN4O2S
• Molecular Weight: 484.98 g/mol
• Exact Mass: 484.11
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C24H22ClFN4O2S/c1-30(11-3-6-19-13-21(29-28-19)16-4-2-5-18(26)12-16)24(31)22-15-33-23(27-22)14-32-20-9-7-17(25)8-10-20/h2,4-5,7-10,12-13,15H,3,6,11,14H2,1H3,(H,28,29)
• InChIKey: BUVDMMIYTAXBNP-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.98
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 55953733) is 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1.

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

The InChIKey is BUVDMMIYTAXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2S/c1-30(11-3-6-19-13-21(29-28-19)16-4-2-5-18(26)12-16)24(31)22-15-33-23(27-22)14-32-20-9-7-17(25)8-10-20/h2,4-5,7-10,12-13,15H,3,6,11,14H2,1H3,(H,28,29).

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

2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).