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

C21H19F3N2O2S — CID 55710144

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55710144) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 55710144
• Molecular Formula: C21H19F3N2O2S
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.11
• IUPAC Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)c1cccc(OC(F)F)c1
• InChI: InChI=1S/C21H19F3N2O2S/c1-12(15-4-3-5-17(11-15)28-21(23)24)26-20(27)19-13(2)25-18(29-19)10-14-6-8-16(22)9-7-14/h3-9,11-12,21H,10H2,1-2H3,(H,26,27)
• InChIKey: JSUXSZCRJGVGNZ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55710144) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)c1cccc(OC(F)F)c1.

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

The InChIKey is JSUXSZCRJGVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-12(15-4-3-5-17(11-15)28-21(23)24)26-20(27)19-13(2)25-18(29-19)10-14-6-8-16(22)9-7-14/h3-9,11-12,21H,10H2,1-2H3,(H,26,27).

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55710144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).