2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

C23H20F2N4OS2 — CID 24651733

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24651733) has the molecular formula C23H20F2N4OS2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 24651733
• Molecular Formula: C23H20F2N4OS2
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.10
• IUPAC Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1nc(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)sc1-c1nccn1C
• InChI: InChI=1S/C23H20F2N4OS2/c1-14-20(22-26-11-12-29(22)2)32-23(27-14)28-19(30)13-31-21(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-12,21H,13H2,1-2H3,(H,27,28,30)
• InChIKey: MLBWIHJUAAPXOE-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (CID 24651733) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)sc1-c1nccn1C.

What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is MLBWIHJUAAPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4OS2/c1-14-20(22-26-11-12-29(22)2)32-23(27-14)28-19(30)13-31-21(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-12,21H,13H2,1-2H3,(H,27,28,30).

What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?

2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24651733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).