2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

C23H23F2N3O3S — CID 42866233

About 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866233) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42866233
• Molecular Formula: C23H23F2N3O3S
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.14
• IUPAC Name: 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCCN1CCOCC1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1
• InChI: InChI=1S/C23H23F2N3O3S/c24-17-3-1-2-16(12-17)14-31-18-4-5-19(20(25)13-18)23-27-21(15-32-23)22(29)26-6-7-28-8-10-30-11-9-28/h1-5,12-13,15H,6-11,14H2,(H,26,29)
• InChIKey: ZVUNDVJKXVCWJQ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (CID 42866233) is 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1.

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

The InChIKey is ZVUNDVJKXVCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c24-17-3-1-2-16(12-17)14-31-18-4-5-19(20(25)13-18)23-27-21(15-32-23)22(29)26-6-7-28-8-10-30-11-9-28/h1-5,12-13,15H,6-11,14H2,(H,26,29).

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

2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).