N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide

C26H26FN5OS — CID 3926897

About N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide

N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 3926897) has the molecular formula C26H26FN5OS and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
• PubChem CID: 3926897
• Molecular Formula: C26H26FN5OS
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.18
• IUPAC Name: N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
• SMILES: O=C(NCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1)c1cccc2ccccc12
• InChI: InChI=1S/C26H26FN5OS/c27-21-10-8-19(9-11-21)18-24-29-26(34-30-24)32-16-14-31(15-17-32)13-12-28-25(33)23-7-3-5-20-4-1-2-6-22(20)23/h1-11H,12-18H2,(H,28,33)
• InChIKey: JZYCRHPXZOOUDI-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide (CID 3926897) is N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide is O=C(NCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1)c1cccc2ccccc12.

What is the InChIKey of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The InChIKey is JZYCRHPXZOOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5OS/c27-21-10-8-19(9-11-21)18-24-29-26(34-30-24)32-16-14-31(15-17-32)13-12-28-25(33)23-7-3-5-20-4-1-2-6-22(20)23/h1-11H,12-18H2,(H,28,33).

What are the key properties of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3926897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).