5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

C24H21FN4O4S — CID 46332461

About 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46332461) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46332461
• Molecular Formula: C24H21FN4O4S
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.13
• IUPAC Name: 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: CC(Cc1ccco1)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1
• InChI: InChI=1S/C24H21FN4O4S/c1-15(12-20-6-3-11-32-20)26-22(30)16-4-2-5-18(13-16)27-23(31)24-29-28-21(34-24)14-33-19-9-7-17(25)8-10-19/h2-11,13,15H,12,14H2,1H3,(H,26,30)(H,27,31)
• InChIKey: KCEYPQHIVVMXKI-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46332461) is 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is CC(Cc1ccco1)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1.

What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is KCEYPQHIVVMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-15(12-20-6-3-11-32-20)26-22(30)16-4-2-5-18(13-16)27-23(31)24-29-28-21(34-24)14-33-19-9-7-17(25)8-10-19/h2-11,13,15H,12,14H2,1H3,(H,26,30)(H,27,31).

What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46332461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).