N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C16H15N5OS4 — CID 42954108

About N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 42954108) has the molecular formula C16H15N5OS4 and a molecular weight of 421.60 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 42954108
• Molecular Formula: C16H15N5OS4
• Molecular Weight: 421.60 g/mol
• Exact Mass: 421.02
• IUPAC Name: N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1
• InChI: InChI=1S/C16H15N5OS4/c1-10(14-18-13(21-22-14)12-5-3-9-24-12)25-16-20-19-15(26-16)17-7-6-11-4-2-8-23-11/h2-5,8-10H,6-7H2,1H3,(H,17,19)
• InChIKey: RSRSDFQMNNUEQR-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.60
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 42954108) is N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1.

What is the InChIKey of N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is RSRSDFQMNNUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS4/c1-10(14-18-13(21-22-14)12-5-3-9-24-12)25-16-20-19-15(26-16)17-7-6-11-4-2-8-23-11/h2-5,8-10H,6-7H2,1H3,(H,17,19).

What are the key properties of N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?

N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 421.60 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 42954108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).