2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C24H18ClFN2O2S — CID 46065796

About 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46065796) has the molecular formula C24H18ClFN2O2S and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46065796
• Molecular Formula: C24H18ClFN2O2S
• Molecular Weight: 452.94 g/mol
• Exact Mass: 452.08
• IUPAC Name: 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1
• InChI: InChI=1S/C24H18ClFN2O2S/c25-21-4-2-1-3-18(21)14-30-20-11-7-17(8-12-20)24-28-22(15-31-24)23(29)27-13-16-5-9-19(26)10-6-16/h1-12,15H,13-14H2,(H,27,29)
• InChIKey: YSLFQFIUUFKCCR-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.94
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46065796) is 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1.

What is the InChIKey of 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is YSLFQFIUUFKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2S/c25-21-4-2-1-3-18(21)14-30-20-11-7-17(8-12-20)24-28-22(15-31-24)23(29)27-13-16-5-9-19(26)10-6-16/h1-12,15H,13-14H2,(H,27,29).

What are the key properties of 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).