N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C23H22N4O2S2 — CID 60588659

About N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 60588659) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 60588659
• Molecular Formula: C23H22N4O2S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.12
• IUPAC Name: N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(Cc1nnc(SCc2csc(CC(=O)Nc3ccccc3)n2)o1)c1ccccc1
• InChI: InChI=1S/C23H22N4O2S2/c1-16(17-8-4-2-5-9-17)12-21-26-27-23(29-21)31-15-19-14-30-22(25-19)13-20(28)24-18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3,(H,24,28)
• InChIKey: KHHBFZPNOBCOLP-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 60588659) is N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(Cc1nnc(SCc2csc(CC(=O)Nc3ccccc3)n2)o1)c1ccccc1.

What is the InChIKey of N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is KHHBFZPNOBCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-16(17-8-4-2-5-9-17)12-21-26-27-23(29-21)31-15-19-14-30-22(25-19)13-20(28)24-18-10-6-3-7-11-18/h2-11,14,16H,12-13,15H2,1H3,(H,24,28).

What are the key properties of N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 450.59 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 60588659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).