N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

C19H17N5OS2 — CID 8939690

About N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 8939690) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
• PubChem CID: 8939690
• Molecular Formula: C19H17N5OS2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.09
• IUPAC Name: N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
• SMILES: C[C@@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C19H17N5OS2/c1-13(16-21-22-17(25-16)15-10-6-3-7-11-15)26-19-24-23-18(27-19)20-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,20,23)/t13-/m1/s1
• InChIKey: WEFSBMNLALBGBP-CYBMUJFWSA-N
• XLogP: 5.05
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 8939690) is N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is C[C@@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2ccccc2)o1.

What is the InChIKey of N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?

The InChIKey is WEFSBMNLALBGBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-13(16-21-22-17(25-16)15-10-6-3-7-11-15)26-19-24-23-18(27-19)20-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,20,23)/t13-/m1/s1.

What are the key properties of N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?

N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 395.51 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8939690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).