N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide

C17H14N6O2S3 — CID 55570125

About N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide

N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide (PubChem CID 55570125) has the molecular formula C17H14N6O2S3 and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
• PubChem CID: 55570125
• Molecular Formula: C17H14N6O2S3
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.03
• IUPAC Name: N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2nnc(SCc3noc(-c4cccs4)n3)s2)c1
• InChI: InChI=1S/C17H14N6O2S3/c1-10(24)18-11-4-2-5-12(8-11)19-16-21-22-17(28-16)27-9-14-20-15(25-23-14)13-6-3-7-26-13/h2-8H,9H2,1H3,(H,18,24)(H,19,21)
• InChIKey: QVEYMACVJDVOEX-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?

The IUPAC name of N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide (CID 55570125) is N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nnc(SCc3noc(-c4cccs4)n3)s2)c1.

What is the InChIKey of N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?

The InChIKey is QVEYMACVJDVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S3/c1-10(24)18-11-4-2-5-12(8-11)19-16-21-22-17(28-16)27-9-14-20-15(25-23-14)13-6-3-7-26-13/h2-8H,9H2,1H3,(H,18,24)(H,19,21).

What are the key properties of N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?

N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 430.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 55570125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).