N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

C24H23FN4O2S — CID 4012714

About N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 4012714) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• PubChem CID: 4012714
• Molecular Formula: C24H23FN4O2S
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• SMILES: Cc1ccc(Cc2nsc(N(CCC(=O)Nc3ccc(F)cc3)Cc3ccco3)n2)cc1
• InChI: InChI=1S/C24H23FN4O2S/c1-17-4-6-18(7-5-17)15-22-27-24(32-28-22)29(16-21-3-2-14-31-21)13-12-23(30)26-20-10-8-19(25)9-11-20/h2-11,14H,12-13,15-16H2,1H3,(H,26,30)
• InChIKey: BLWXZELBGPCFPR-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The IUPAC name of N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 4012714) is N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

What is the SMILES notation for N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The canonical SMILES for N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is Cc1ccc(Cc2nsc(N(CCC(=O)Nc3ccc(F)cc3)Cc3ccco3)n2)cc1.

What is the InChIKey of N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The InChIKey is BLWXZELBGPCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-17-4-6-18(7-5-17)15-22-27-24(32-28-22)29(16-21-3-2-14-31-21)13-12-23(30)26-20-10-8-19(25)9-11-20/h2-11,14H,12-13,15-16H2,1H3,(H,26,30).

What are the key properties of N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 450.54 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 4012714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).