2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H22F2N4OS — CID 24951499

About 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24951499) has the molecular formula C24H22F2N4OS and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 24951499
• Molecular Formula: C24H22F2N4OS
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.15
• IUPAC Name: 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cc(C)n(CCc3ccc(F)cc3)n2)sc1C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C24H22F2N4OS/c1-15-13-21(29-30(15)12-11-17-3-7-19(25)8-4-17)24-28-16(2)22(32-24)23(31)27-14-18-5-9-20(26)10-6-18/h3-10,13H,11-12,14H2,1-2H3,(H,27,31)
• InChIKey: CGTPBDCTPXABEE-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24951499) is 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cc(C)n(CCc3ccc(F)cc3)n2)sc1C(=O)NCc1ccc(F)cc1.

What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is CGTPBDCTPXABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4OS/c1-15-13-21(29-30(15)12-11-17-3-7-19(25)8-4-17)24-28-16(2)22(32-24)23(31)27-14-18-5-9-20(26)10-6-18/h3-10,13H,11-12,14H2,1-2H3,(H,27,31).

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

2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24951499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).