N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

C₈H₈BrN₃OS — CID 130702623

About N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 130702623) has the molecular formula C₈H₈BrN₃OS and a molecular weight of 274.14 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
• PubChem CID: 130702623
• Molecular Formula: C₈H₈BrN₃OS
• Molecular Weight: 274.14 g/mol
• Exact Mass: 272.96
• IUPAC Name: N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
• SMILES: Cc1nnc(NCc2cscc2Br)o1
• InChI: InChI=1S/C8H8BrN3OS/c1-5-11-12-8(13-5)10-2-6-3-14-4-7(6)9/h3-4H,2H2,1H3,(H,10,12)
• InChIKey: QLEDFNOXAKFRAR-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 50.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.14
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 130702623) is N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2cscc2Br)o1.

What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?

The InChIKey is QLEDFNOXAKFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-5-11-12-8(13-5)10-2-6-3-14-4-7(6)9/h3-4H,2H2,1H3,(H,10,12).

What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?

N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 274.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130702623 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.